6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one

C15H16N2O3 — CID 18001525

IUPAC6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H16N2O3/c1-8-5-9(2)13(10(3)6-8)12-7-11(4)16-15(18)14(12)17(19)20/h5-7H,1-4H3,(H,16,18)
InChIKeyKBCMNWFANOQRPT-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.18
Rot. Bonds2

About 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one

6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one (PubChem CID 18001525) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
PubChem CID18001525
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one
SMILESCc1cc(C)c(-c2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(C)c1
InChIInChI=1S/C15H16N2O3/c1-8-5-9(2)13(10(3)6-8)12-7-11(4)16-15(18)14(12)17(19)20/h5-7H,1-4H3,(H,16,18)
InChIKeyKBCMNWFANOQRPT-UHFFFAOYSA-N
XLogP3.18
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one 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 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
The IUPAC name of 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one (CID 18001525) is 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one is Cc1cc(C)c(-c2cc(C)[nH]c(=O)c2[N+](=O)[O-])c(C)c1.
What is the InChIKey of 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
The InChIKey is KBCMNWFANOQRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-5-9(2)13(10(3)6-8)12-7-11(4)16-15(18)14(12)17(19)20/h5-7H,1-4H3,(H,16,18).
What are the key properties of 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one?
6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-4-(2,4,6-trimethylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 18001525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).