2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid

C14H12N2O5 — CID 82517008

IUPAC2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid
SMILESCn1c(-c2ccc([N+](=O)[O-])cc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C14H12N2O5/c1-15-12(7-4-10(14(15)19)8-13(17)18)9-2-5-11(6-3-9)16(20)21/h2-7H,8H2,1H3,(H,17,18)
InChIKeyLMAOQGGMXJJRJL-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid

2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid (PubChem CID 82517008) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid
PubChem CID82517008
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC Name2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid
SMILESCn1c(-c2ccc([N+](=O)[O-])cc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C14H12N2O5/c1-15-12(7-4-10(14(15)19)8-13(17)18)9-2-5-11(6-3-9)16(20)21/h2-7H,8H2,1H3,(H,17,18)
InChIKeyLMAOQGGMXJJRJL-UHFFFAOYSA-N
XLogP1.59
TPSA102.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid (CID 82517008) is 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid is Cn1c(-c2ccc([N+](=O)[O-])cc2)ccc(CC(=O)O)c1=O.
What is the InChIKey of 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid?
The InChIKey is LMAOQGGMXJJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-15-12(7-4-10(14(15)19)8-13(17)18)9-2-5-11(6-3-9)16(20)21/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid?
2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid has a molecular weight of 288.26 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-6-(4-nitrophenyl)-2-oxo-3-pyridinyl]acetic acid is sourced from PubChem (CID 82517008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).