6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid

C13H9F2NO3 — CID 122563348

IUPAC6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO3/c1-19-11-5-4-10(13(17)18)16-12(11)7-2-3-8(14)9(15)6-7/h2-6H,1H3,(H,17,18)
InChIKeyWRMNRBTYQXZBGV-UHFFFAOYSA-N
MW265.22 g/mol
LogP2.73
Rot. Bonds3

About 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid

6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid (PubChem CID 122563348) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid
PubChem CID122563348
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid
SMILESCOc1ccc(C(=O)O)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO3/c1-19-11-5-4-10(13(17)18)16-12(11)7-2-3-8(14)9(15)6-7/h2-6H,1H3,(H,17,18)
InChIKeyWRMNRBTYQXZBGV-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

6-(3-(Trifluoromethyl)phenoxy)picolinic acid
CID 4271775
8-Methoxy-2-phenylquinoline-4-carboxylic acid
CID 707375
5-Methoxy-6-methylpicolinic acid
CID 281704
Methyl 6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxylate
CID 3314738
3-{2-[6-(2-Carboxy-vinyl)-5-decyloxy-pyridin-2-yl]-1-hydroxy-ethyl}-benzoic acid
CID 9826485
3-{2-[6-(2-Carboxy-ethyl)-5-decyloxy-pyridin-2-yl]-1-hydroxy-ethyl}-benzoic acid
CID 14977894
3-(2-{6-(2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)-hexyloxy]-pyridin-2-yl}-1-hydroxy-ethyl)-benzoic acid
CID 14977898
3-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylmethoxy]-benzoic acid
CID 14977907
4-(4-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 102499907
Picolinic acid, 5-(p-tolyloxy)-
CID 3055222
5-(Benzyloxy)pyridine-2-carboxylic acid
CID 18379352
4-(2-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 12843430

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid?
The IUPAC name of 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid (CID 122563348) is 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid?
The canonical SMILES for 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid is COc1ccc(C(=O)O)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid?
The InChIKey is WRMNRBTYQXZBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c1-19-11-5-4-10(13(17)18)16-12(11)7-2-3-8(14)9(15)6-7/h2-6H,1H3,(H,17,18).
What are the key properties of 6-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid?
6-(3,4-difluorophenyl)-5-methoxypyridine-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-(3,4-difluorophenyl)-5-methoxypyridine-2-carboxylic acid is sourced from PubChem (CID 122563348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).