2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

C19H13ClN2O5 — CID 169405860

IUPAC2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(-c3cccc(Cl)c3)c2)c1C(=O)O
InChIInChI=1S/C19H13ClN2O5/c20-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-14(18(24)25)16(21)22-17(23)15(13)19(26)27/h1-8H,(H,24,25)(H,26,27)(H3,21,22,23)
InChIKeyPQZUOPXVDGAOFX-UHFFFAOYSA-N
MW384.78 g/mol
LogP3.34
Rot. Bonds4

About 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid

2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (PubChem CID 169405860) has the molecular formula C19H13ClN2O5 and a molecular weight of 384.78 g/mol. Its IUPAC name is 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
PubChem CID169405860
Molecular FormulaC19H13ClN2O5
Molecular Weight384.78 g/mol
Exact Mass384.05
IUPAC Name2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
SMILESNc1[nH]c(=O)c(C(=O)O)c(-c2cccc(-c3cccc(Cl)c3)c2)c1C(=O)O
InChIInChI=1S/C19H13ClN2O5/c20-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-14(18(24)25)16(21)22-17(23)15(13)19(26)27/h1-8H,(H,24,25)(H,26,27)(H3,21,22,23)
InChIKeyPQZUOPXVDGAOFX-UHFFFAOYSA-N
XLogP3.34
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The IUPAC name of 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid (CID 169405860) is 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is Nc1[nH]c(=O)c(C(=O)O)c(-c2cccc(-c3cccc(Cl)c3)c2)c1C(=O)O.
What is the InChIKey of 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
The InChIKey is PQZUOPXVDGAOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O5/c20-12-6-2-4-10(8-12)9-3-1-5-11(7-9)13-14(18(24)25)16(21)22-17(23)15(13)19(26)27/h1-8H,(H,24,25)(H,26,27)(H3,21,22,23).
What are the key properties of 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid?
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid has a molecular weight of 384.78 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 169405860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).