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

C14H10ClFN2O5 — CID 169407433

IUPAC2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Cl)cc1F
InChIInChI=1S/C14H10ClFN2O5/c1-4-2-5(6(15)3-7(4)16)8-9(13(20)21)11(17)18-12(19)10(8)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyNMDWCZIOXCIJIA-UHFFFAOYSA-N
MW340.69 g/mol
LogP2.12
Rot. Bonds3

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

2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169407433) has the molecular formula C14H10ClFN2O5 and a molecular weight of 340.69 g/mol. Its IUPAC name is 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169407433
Molecular FormulaC14H10ClFN2O5
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Cl)cc1F
InChIInChI=1S/C14H10ClFN2O5/c1-4-2-5(6(15)3-7(4)16)8-9(13(20)21)11(17)18-12(19)10(8)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19)
InChIKeyNMDWCZIOXCIJIA-UHFFFAOYSA-N
XLogP2.12
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-(4-chloro-2,3,6-trifluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407583
2-amino-4-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405149
2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405280
2-amino-4-(2-fluoro-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405271
2-amino-4-(2,4-difluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405053
2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407946
2-amino-4-(2-fluorophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404968
2-amino-4-(4,6-dichloro-2-fluoro-3-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407431
2-amino-4-(4,5-dichloro-2-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407228
2-amino-4-[4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407251
2-amino-4-(5-chloro-2-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406915

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169407433) is 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Cc1cc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)c(Cl)cc1F.
What is the InChIKey of 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is NMDWCZIOXCIJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O5/c1-4-2-5(6(15)3-7(4)16)8-9(13(20)21)11(17)18-12(19)10(8)14(22)23/h2-3H,1H3,(H,20,21)(H,22,23)(H3,17,18,19).
What are the key properties of 2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 340.69 g/mol, XLogP of 2.12, 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-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169407433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).