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

C14H11ClN2O5 — CID 169405280

IUPAC2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1Cl
InChIInChI=1S/C14H11ClN2O5/c1-5-2-3-6(4-7(5)15)8-9(13(19)20)11(16)17-12(18)10(8)14(21)22/h2-4H,1H3,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyRKDIZXQXAIKQFC-UHFFFAOYSA-N
MW322.70 g/mol
LogP1.98
Rot. Bonds3

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

2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405280) has the molecular formula C14H11ClN2O5 and a molecular weight of 322.70 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405280
Molecular FormulaC14H11ClN2O5
Molecular Weight322.70 g/mol
Exact Mass322.04
IUPAC Name2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1Cl
InChIInChI=1S/C14H11ClN2O5/c1-5-2-3-6(4-7(5)15)8-9(13(19)20)11(16)17-12(18)10(8)14(21)22/h2-4H,1H3,(H,19,20)(H,21,22)(H3,16,17,18)
InChIKeyRKDIZXQXAIKQFC-UHFFFAOYSA-N
XLogP1.98
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(3-chloro-4-iodophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407864
2-amino-4-[3-chloro-4-(trifluoromethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405339
2-amino-4-(3-chloro-4-cyanophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407296
2-amino-4-(2,4-dichloro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406073
2-amino-4-(4-cyano-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405432
2-amino-4-(3-chloro-5-fluoro-4-hydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407946
2-amino-4-[4-(2-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405394
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
2-amino-4-(3,5-dihydroxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405328
2-amino-4-(3-bromo-4-carboxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407841
2-amino-4-(4-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169404956
2-amino-4-(2-chloro-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407433

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405280) is 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Cc1ccc(-c2c(C(=O)O)c(N)[nH]c(=O)c2C(=O)O)cc1Cl.
What is the InChIKey of 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is RKDIZXQXAIKQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O5/c1-5-2-3-6(4-7(5)15)8-9(13(19)20)11(16)17-12(18)10(8)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-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 322.70 g/mol, XLogP of 1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).