6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid

C14H9FN2O3 — CID 155342208

IUPAC6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cccc(F)c1-c1cc(C#N)ncc1C(=O)O
InChIInChI=1S/C14H9FN2O3/c1-20-12-4-2-3-11(15)13(12)9-5-8(6-16)17-7-10(9)14(18)19/h2-5,7H,1H3,(H,18,19)
InChIKeyYXXLPIJRQPLGHA-UHFFFAOYSA-N
MW272.24 g/mol
LogP2.47
Rot. Bonds3

About 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid

6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 155342208) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid
PubChem CID155342208
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid
SMILESCOc1cccc(F)c1-c1cc(C#N)ncc1C(=O)O
InChIInChI=1S/C14H9FN2O3/c1-20-12-4-2-3-11(15)13(12)9-5-8(6-16)17-7-10(9)14(18)19/h2-5,7H,1H3,(H,18,19)
InChIKeyYXXLPIJRQPLGHA-UHFFFAOYSA-N
XLogP2.47
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-4-methylpyridine-3-carboxylic acid
CID 130894827
4-(5-cyano-2-methoxyphenyl)-6-methylpyridine-3-carboxylic acid
CID 155342269
3-(2,6-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 112694211
4-cyano-5-fluoro-2-methoxybenzoic acid
CID 131092344
methyl 5-(2-fluoro-6-methoxyphenyl)pyrimidine-4-carboxylate
CID 163390834
2-cyano-5-methoxypyridine-4-carboxamide
CID 13238726
2-(2-cyano-3-fluorophenoxy)-3-fluoropyridine-4-carboxylic acid
CID 105380007
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile
CID 162135298
1-[4-cyano-5-(2-fluoro-3-methoxyphenyl)-2-pyridinyl]pyrazole-4-carboxylic acid
CID 86298765
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
dimethyl 6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-3,5-dicarboxylate
CID 163390715

Frequently Asked Questions

What is the IUPAC name of 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid (CID 155342208) is 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid is COc1cccc(F)c1-c1cc(C#N)ncc1C(=O)O.
What is the InChIKey of 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is YXXLPIJRQPLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c1-20-12-4-2-3-11(15)13(12)9-5-8(6-16)17-7-10(9)14(18)19/h2-5,7H,1H3,(H,18,19).
What are the key properties of 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid?
6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 272.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 155342208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).