2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C14H11FN2O5 — CID 169405271

IUPAC2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1F
InChIInChI=1S/C14H11FN2O5/c1-5-3-2-4-6(10(5)15)7-8(13(19)20)11(16)17-12(18)9(7)14(21)22/h2-4H,1H3,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyUPRIJTRVKJTKOE-UHFFFAOYSA-N
MW306.25 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405271) has the molecular formula C14H11FN2O5 and a molecular weight of 306.25 g/mol. Its IUPAC name is 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405271
Molecular FormulaC14H11FN2O5
Molecular Weight306.25 g/mol
Exact Mass306.07
IUPAC Name2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1F
InChIInChI=1S/C14H11FN2O5/c1-5-3-2-4-6(10(5)15)7-8(13(19)20)11(16)17-12(18)9(7)14(21)22/h2-4H,1H3,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyUPRIJTRVKJTKOE-UHFFFAOYSA-N
XLogP1.47
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407251
2-amino-6-oxo-4-(2-sulfophenyl)-1H-pyridine-3,5-dicarboxylic acid
CID 169405007
2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-(3-ethoxy-2-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405078
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049
2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407952
2-amino-4-[2-(benzenesulfonyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406058
2-amino-4-[2-nitro-3-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407835

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405271) is 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Cc1cccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c1F.
What is the InChIKey of 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is UPRIJTRVKJTKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5/c1-5-3-2-4-6(10(5)15)7-8(13(19)20)11(16)17-12(18)9(7)14(21)22/h2-4H,1H3,(H,19,20)(H,21,22)(H3,16,17,18).
What are the key properties of 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 306.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).