1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid

C13H10FNO3 — CID 80502747

IUPAC1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccccc2F)c(=O)c1
InChIInChI=1S/C13H10FNO3/c14-11-4-2-1-3-10(11)8-15-6-5-9(13(17)18)7-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyMBYXFDNUZZFPAV-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.73
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid

1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid (PubChem CID 80502747) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
PubChem CID80502747
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
SMILESO=C(O)c1ccn(Cc2ccccc2F)c(=O)c1
InChIInChI=1S/C13H10FNO3/c14-11-4-2-1-3-10(11)8-15-6-5-9(13(17)18)7-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyMBYXFDNUZZFPAV-UHFFFAOYSA-N
XLogP1.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 114850273
1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82918341
1-[(3-bromo-4-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82902406
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-[(3-chloro-4-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82897352
2-oxo-1-(quinolin-2-ylmethyl)pyridine-4-carboxylic acid
CID 82898259
1-(3-fluoropropyl)-2-oxopyridine-4-carboxylic acid
CID 44600577
1-[(2-fluorophenyl)methyl]indole-4-carboxylic acid
CID 43316624
N-[4-(4,6-dimethyl-2-pyridinyl)-1,3-thiazol-2-yl]-1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxamide
CID 176858764
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
1-[(5-bromothiophen-2-yl)methyl]-2-oxopyridine-4-carboxylic acid
CID 82901684
3-[(5-bromo-2-oxo-1-pyridinyl)methyl]-4-fluorobenzoic acid
CID 107452073

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid (CID 80502747) is 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid is O=C(O)c1ccn(Cc2ccccc2F)c(=O)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
The InChIKey is MBYXFDNUZZFPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-4-2-1-3-10(11)8-15-6-5-9(13(17)18)7-12(15)16/h1-7H,8H2,(H,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid?
1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 80502747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).