3D Mol Similar

3-Methylfuro[3,2-B]Pyridine

: Iupac Name：3-methylfuro[3,2-b]pyridine; CAS No.: 107096-11-7; Molecular Weight：133.15; Modify Date.: 2022-11-02 15:54

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1. Names and Identifiers

: 1.1 Name; 3-Methylfuro[3,2-B]Pyridine; 1.2 Synonyms; 3-Methylfuro[3,2-b]pyridine AX8259677 DTXSID20577825 FCH1418434 Furo[3,2-b]pyridine,3-methyl-(9CI) ZINC25948001

1.3 CAS No.: 107096-11-7

1.4 CID: 15743083

1.5 Molecular Formula: C8H7NO (isomer)

1.6 Inchi: InChI=1S/C8H7NO/c1-6-5-10-7-3-2-4-9-8(6)7/h2-5H,1H3

1.7 InChIkey: ZODAEGCLBQIRLR-UHFFFAOYSA-N

1.8 Canonical Smiles: CC1=COC2=C1N=CC=C2

1.9 Isomers Smiles: CC1=COC2=C1N=CC=C2

2. Properties

2.1 Precise Quality: 133.05300

2.1 PSA: 26.03000

2.1 logP: 2.13620

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

View all

4. Synthesis Route

107096-11-7Total: 9 Synthesis Route

874-24-8 116 Suppliers

107096-11-7

Literatures:
Journal of Heterocyclic Chemistry, , vol. 23, # 3 p. 665 - 668
Yield: null

73406-50-5 6 Suppliers

107096-11-7

Literatures:
Journal of Heterocyclic Chemistry, , vol. 23, # 3 p. 665 - 668
Yield: null

13210-29-2 21 Suppliers

107096-11-7

Literatures:
Journal of Heterocyclic Chemistry, , vol. 23, # 3 p. 665 - 668
Yield: null

View all

5. Precursor and Product

precursor:

107096-06-0

107096-10-6

874-24-8

107096-08-2

107096-09-3

73406-50-5

81376-88-7

167420-49-7

13210-29-2

6. Computational chemical data

Molecular Weight: 133.15g/mol
Molecular Formula: C₈H₇NO
Compound Is Canonicalized: True
XLogP3-AA: 1.7
Exact Mass: 133.052763847
Monoisotopic Mass: 133.052763847
Complexity: 126
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 26
Heavy Atom Count: 10
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcYByIAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgB+AAAHgAAAAAADAzhngY+xrIIFECoA7x3xASCiCA3YiAI2CG/bNgOJvrEtbuHOajmwBnY6ce8yGCMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. Realated Product Infomation

69022-76-0 2-Methylfuro[2,3-c]pyridine

31270-81-2 4-CHLORO-2-METHYLFURO[3,2-C]PYRIDINE

26956-44-5 2-METHYLFURO[3,2-C]PYRIDIN-4-OL

1125674-06-7 Ethyl 3-methylfuro[2,3-b]pyridine-2-carboxylate

1228666-60-1 (5-Methylfuro[2,3-b]pyridin-2-yl)methanol

5196-20-3 1,3-dihydro-6-methylfuro[3,4-c]pyridin-7-ol

159084-16-9 trimethyl-(5-methylfuro[3,2-b]pyridin-2-yl)silane

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