1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid

C14H12FNO4 — CID 102877143

IUPAC1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)ccc2=O)c(F)c1
InChIInChI=1S/C14H12FNO4/c1-20-11-4-2-9(12(15)6-11)7-16-8-10(14(18)19)3-5-13(16)17/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyQTPTYIBMOHAMFM-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.74
Rot. Bonds4

About 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid

1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 102877143) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID102877143
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(Cn2cc(C(=O)O)ccc2=O)c(F)c1
InChIInChI=1S/C14H12FNO4/c1-20-11-4-2-9(12(15)6-11)7-16-8-10(14(18)19)3-5-13(16)17/h2-6,8H,7H2,1H3,(H,18,19)
InChIKeyQTPTYIBMOHAMFM-UHFFFAOYSA-N
XLogP1.74
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-cyano-2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylate
CID 17468293
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propanoic acid
CID 102877392
3-[(5-bromo-2-oxo-1-pyridinyl)methyl]-4-fluorobenzoic acid
CID 107452073
1-[(2-methoxy-4-pyridinyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 62993708
3-amino-1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107324895
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
methyl 1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3-carboxylate
CID 102878542
1-[(4-cyano-3-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid
CID 106792177
3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 102877482
1-(4-bromophenyl)-2-(2-fluoro-4-methoxyphenyl)ethanone
CID 159564102
1-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylpiperidine-2-carboxylic acid
CID 107072262
N-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 102876940

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 102877143) is 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid is COc1ccc(Cn2cc(C(=O)O)ccc2=O)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is QTPTYIBMOHAMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-20-11-4-2-9(12(15)6-11)7-16-8-10(14(18)19)3-5-13(16)17/h2-6,8H,7H2,1H3,(H,18,19).
What are the key properties of 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methoxyphenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 102877143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).