6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid

C13H9F2NO3 — CID 59226555

IUPAC6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(F)c(-c2cccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C13H9F2NO3/c1-19-7-5-8(14)12(9(15)6-7)10-3-2-4-11(16-10)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyHYAQAXFRWHMLAO-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.73
Rot. Bonds3

About 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid

6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 59226555) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID59226555
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1cc(F)c(-c2cccc(C(=O)O)n2)c(F)c1
InChIInChI=1S/C13H9F2NO3/c1-19-7-5-8(14)12(9(15)6-7)10-3-2-4-11(16-10)13(17)18/h2-6H,1H3,(H,17,18)
InChIKeyHYAQAXFRWHMLAO-UHFFFAOYSA-N
XLogP2.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139
6-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxylic acid
CID 141058986
6-(5-bromo-2-methoxyphenyl)pyridine-2-carboxylic acid
CID 24730144
6-(3,5-dichlorophenyl)pyridine-2-carboxylic acid
CID 24730153
6-naphthalen-2-ylpyridine-2-carboxylic acid
CID 158131447
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
3-(2,6-difluorophenyl)-5-methoxybenzoic acid
CID 53225965
2,6-bis(4-methoxy-2,6-dimethylphenyl)pyridine
CID 71374375
6-[(3-methoxyphenyl)sulfonylmethyl]pyridine-2-carboxylic acid
CID 106903815
3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
CID 61026090

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid (CID 59226555) is 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid is COc1cc(F)c(-c2cccc(C(=O)O)n2)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is HYAQAXFRWHMLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-19-7-5-8(14)12(9(15)6-7)10-3-2-4-11(16-10)13(17)18/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid?
6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 59226555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).