3-fluoro-2-methylquinoline-7-carbonitrile

C11H7FN2 — CID 174882277

IUPAC3-fluoro-2-methylquinoline-7-carbonitrile
SMILESCc1nc2cc(C#N)ccc2cc1F
InChIInChI=1S/C11H7FN2/c1-7-10(12)5-9-3-2-8(6-13)4-11(9)14-7/h2-5H,1H3
InChIKeyCODYFQCEDKDRRE-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.55
Rot. Bonds

About 3-fluoro-2-methylquinoline-7-carbonitrile

3-fluoro-2-methylquinoline-7-carbonitrile (PubChem CID 174882277) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 3-fluoro-2-methylquinoline-7-carbonitrile.

Molecular Properties

Compound Name3-fluoro-2-methylquinoline-7-carbonitrile
PubChem CID174882277
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name3-fluoro-2-methylquinoline-7-carbonitrile
SMILESCc1nc2cc(C#N)ccc2cc1F
InChIInChI=1S/C11H7FN2/c1-7-10(12)5-9-3-2-8(6-13)4-11(9)14-7/h2-5H,1H3
InChIKeyCODYFQCEDKDRRE-UHFFFAOYSA-N
XLogP2.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
6,7-difluoro-2-methylquinoline-3-carbonitrile
CID 154554859
4-fluoro-3-methylbenzonitrile
CID 2779180
2-methoxyquinoline-7-carbonitrile
CID 131198350
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
3-(3,5-dimethylphenyl)-4-fluorobenzonitrile
CID 82115047
2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65035579
2-(4-fluoro-3-hydroxybenzoyl)quinoline-7-carbonitrile
CID 134158360
anthracene-2,6-dicarbonitrile
CID 89012264
6,7-difluoro-2-propan-2-ylquinoline-3-carbonitrile
CID 142184146
2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 82879135
3-fluoro-4-iodobenzonitrile
CID 24721521

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methylquinoline-7-carbonitrile?
The IUPAC name of 3-fluoro-2-methylquinoline-7-carbonitrile (CID 174882277) is 3-fluoro-2-methylquinoline-7-carbonitrile.
What is the SMILES notation for 3-fluoro-2-methylquinoline-7-carbonitrile?
The canonical SMILES for 3-fluoro-2-methylquinoline-7-carbonitrile is Cc1nc2cc(C#N)ccc2cc1F.
What is the InChIKey of 3-fluoro-2-methylquinoline-7-carbonitrile?
The InChIKey is CODYFQCEDKDRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c1-7-10(12)5-9-3-2-8(6-13)4-11(9)14-7/h2-5H,1H3.
What are the key properties of 3-fluoro-2-methylquinoline-7-carbonitrile?
3-fluoro-2-methylquinoline-7-carbonitrile has a molecular weight of 186.19 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methylquinoline-7-carbonitrile is sourced from PubChem (CID 174882277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).