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

C13H8F2N2O5 — CID 169405053

IUPAC2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(F)cc2F)c1C(=O)O
InChIInChI=1S/C13H8F2N2O5/c14-4-1-2-5(6(15)3-4)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyNMZZCDLADXZNML-UHFFFAOYSA-N
MW310.21 g/mol
LogP1.30
Rot. Bonds3

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

2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405053) has the molecular formula C13H8F2N2O5 and a molecular weight of 310.21 g/mol. Its IUPAC name is 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405053
Molecular FormulaC13H8F2N2O5
Molecular Weight310.21 g/mol
Exact Mass310.04
IUPAC Name2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2ccc(F)cc2F)c1C(=O)O
InChIInChI=1S/C13H8F2N2O5/c14-4-1-2-5(6(15)3-4)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyNMZZCDLADXZNML-UHFFFAOYSA-N
XLogP1.30
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.21
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405049
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-[4-fluoro-2-(trifluoromethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406922
2-amino-4-(2-ethoxy-4-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405540
2-amino-4-[5-(bromomethyl)-2-fluorophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407796
2-amino-4-[2-(3,5-difluorophenoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407952
2-amino-4-[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405705
2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407251
2-amino-4-(5-fluoro-1-benzothiophen-7-yl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407461
2-amino-4-[2-fluoro-5-(6-fluoro-3-pyridinyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407912
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405053) is 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2ccc(F)cc2F)c1C(=O)O.
What is the InChIKey of 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is NMZZCDLADXZNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O5/c14-4-1-2-5(6(15)3-4)7-8(12(19)20)10(16)17-11(18)9(7)13(21)22/h1-3H,(H,19,20)(H,21,22)(H3,16,17,18).
What are the key properties of 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 310.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).