3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid

C15H14N2O6 — CID 139451187

IUPAC3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid
SMILESCOc1cc(OC)cc(-c2c(C)ncc([N+](=O)[O-])c2C(=O)O)c1
InChIInChI=1S/C15H14N2O6/c1-8-13(9-4-10(22-2)6-11(5-9)23-3)14(15(18)19)12(7-16-8)17(20)21/h4-7H,1-3H3,(H,18,19)
InChIKeyOZZOVVQHQOZCFA-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.68
Rot. Bonds5

About 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid

3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid (PubChem CID 139451187) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid
PubChem CID139451187
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid
SMILESCOc1cc(OC)cc(-c2c(C)ncc([N+](=O)[O-])c2C(=O)O)c1
InChIInChI=1S/C15H14N2O6/c1-8-13(9-4-10(22-2)6-11(5-9)23-3)14(15(18)19)12(7-16-8)17(20)21/h4-7H,1-3H3,(H,18,19)
InChIKeyOZZOVVQHQOZCFA-UHFFFAOYSA-N
XLogP2.68
TPSA111.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-hydroxy-4-methoxy-6-nitrobenzoic acid
CID 170739780
2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
2-methoxy-5-nitropyridine-4-carboxylic acid
CID 105451249
2-(difluoromethoxy)-5-methoxy-3-nitrobenzoic acid
CID 119015385
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
6-methoxy-4-methyl-3-nitroquinoline
CID 612778
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
2,6-dimethyl-3,5-dinitrobenzoic acid
CID 5224379
2-amino-4-(2-hydroxy-5-methoxy-3-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405883
6-methoxy-3-methyl-8-nitroquinoline
CID 612677
6-methoxy-3-nitro-4-phenylquinoline
CID 139655167
2-hydroxy-3-methoxy-6-nitrobenzoic acid
CID 154429384

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid (CID 139451187) is 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid is COc1cc(OC)cc(-c2c(C)ncc([N+](=O)[O-])c2C(=O)O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid?
The InChIKey is OZZOVVQHQOZCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O6/c1-8-13(9-4-10(22-2)6-11(5-9)23-3)14(15(18)19)12(7-16-8)17(20)21/h4-7H,1-3H3,(H,18,19).
What are the key properties of 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid?
3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid has a molecular weight of 318.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 139451187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).