3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid

C14H8F2N2O2 — CID 134083419

IUPAC3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
SMILESCc1nc(-c2ccc(F)cc2F)cc(C(=O)O)c1C#N
InChIInChI=1S/C14H8F2N2O2/c1-7-11(6-17)10(14(19)20)5-13(18-7)9-3-2-8(15)4-12(9)16/h2-5H,1H3,(H,19,20)
InChIKeyHFSJIGSVGKWPQC-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.91
Rot. Bonds2

About 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid

3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid (PubChem CID 134083419) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
PubChem CID134083419
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
SMILESCc1nc(-c2ccc(F)cc2F)cc(C(=O)O)c1C#N
InChIInChI=1S/C14H8F2N2O2/c1-7-11(6-17)10(14(19)20)5-13(18-7)9-3-2-8(15)4-12(9)16/h2-5H,1H3,(H,19,20)
InChIKeyHFSJIGSVGKWPQC-UHFFFAOYSA-N
XLogP2.91
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
CID 4579091
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)oxy]-4-fluorobenzoic acid
CID 107016460
4-(2,4-difluorophenyl)-1,3-oxazole-2-carboxylic acid
CID 134209886
2-[4-(2,4-difluorophenyl)-6-methylpyrimidin-2-yl]acetonitrile
CID 116895033
2-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-5-methylbenzoic acid
CID 58415864
2-[[3-cyano-2-[4-(2,4-difluorophenyl)phenyl]-6-fluoroquinolin-4-yl]amino]propanoic acid
CID 70327009
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide
CID 75431421

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid?
The IUPAC name of 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid (CID 134083419) is 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid?
The canonical SMILES for 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid is Cc1nc(-c2ccc(F)cc2F)cc(C(=O)O)c1C#N.
What is the InChIKey of 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid?
The InChIKey is HFSJIGSVGKWPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c1-7-11(6-17)10(14(19)20)5-13(18-7)9-3-2-8(15)4-12(9)16/h2-5H,1H3,(H,19,20).
What are the key properties of 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid?
3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid has a molecular weight of 274.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 134083419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).