1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid

C13H9F2NO3 — CID 114040206

IUPAC1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C13H9F2NO3/c14-9-3-1-4-10(15)8(9)7-16-11(13(18)19)5-2-6-12(16)17/h1-6H,7H2,(H,18,19)
InChIKeyNAPLCQUSEFCPFU-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.87
Rot. Bonds3

About 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid

1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid (PubChem CID 114040206) has the molecular formula C13H9F2NO3 and a molecular weight of 265.22 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
PubChem CID114040206
Molecular FormulaC13H9F2NO3
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(=O)n1Cc1c(F)cccc1F
InChIInChI=1S/C13H9F2NO3/c14-9-3-1-4-10(15)8(9)7-16-11(13(18)19)5-2-6-12(16)17/h1-6H,7H2,(H,18,19)
InChIKeyNAPLCQUSEFCPFU-UHFFFAOYSA-N
XLogP1.87
TPSA59.30 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chlorophenyl)methyl]-6-oxopyridine-2-carboxylic acid
CID 58306715
1-[(2,6-difluorophenyl)methyl]-3-(2-fluorophenyl)indole-2-carboxylic acid
CID 71592108
1-[(2-amino-6-fluorophenyl)methyl]-6-(trifluoromethyl)pyridin-2-one
CID 81319649
1-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]ethanone
CID 756967
3-fluoro-2-(fluoromethyl)benzoic acid
CID 68731679
1-[(2,6-difluorophenyl)methyl]-3-methylpyrazole-4-carboxylic acid
CID 114930567
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
3-benzyl-N-[(2,6-difluorophenyl)methyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112522455
2-ethyl-3-fluorobenzoic acid
CID 52911005
1-[(2,5-dichlorophenyl)methyl]-6-oxopyridine-2-carbonyl chloride
CID 118093452
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
CID 91385427
1-ethyl-N-[(4-fluorophenyl)methyl]-6-oxopyridine-2-carboxamide
CID 158947897

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid (CID 114040206) is 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid is O=C(O)c1cccc(=O)n1Cc1c(F)cccc1F.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
The InChIKey is NAPLCQUSEFCPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO3/c14-9-3-1-4-10(15)8(9)7-16-11(13(18)19)5-2-6-12(16)17/h1-6H,7H2,(H,18,19).
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid?
1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid has a molecular weight of 265.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114040206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).