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

C14H12FNO4 — CID 139337963

IUPAC1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOc1cccc(F)c1-n1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C14H12FNO4/c1-8-6-7-9(14(18)19)13(17)16(8)12-10(15)4-3-5-11(12)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyOZEGDWAKEPRWGL-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.99
Rot. Bonds3

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

1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 139337963) has the molecular formula C14H12FNO4 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID139337963
Molecular FormulaC14H12FNO4
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOc1cccc(F)c1-n1c(C)ccc(C(=O)O)c1=O
InChIInChI=1S/C14H12FNO4/c1-8-6-7-9(14(18)19)13(17)16(8)12-10(15)4-3-5-11(12)20-2/h3-7H,1-2H3,(H,18,19)
InChIKeyOZEGDWAKEPRWGL-UHFFFAOYSA-N
XLogP1.99
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one
CID 139337965
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
1-(3-bromophenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124840
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101
9-methoxy-4-oxoquinolizine-3-carboxylic acid
CID 56617934
methyl 1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693531
(2-fluoro-6-methoxyphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103432999
2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
CID 168699622
1-(3-chloro-4-methylphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 82124199
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
8-methoxy-1-methylnaphthalene-2-carboxylic acid
CID 115057552
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid (CID 139337963) is 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is COc1cccc(F)c1-n1c(C)ccc(C(=O)O)c1=O.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is OZEGDWAKEPRWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4/c1-8-6-7-9(14(18)19)13(17)16(8)12-10(15)4-3-5-11(12)20-2/h3-7H,1-2H3,(H,18,19).
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid?
1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 139337963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).