3-methyl-4-nitropyridine-2-carboxylic acid

C7H6N2O4 — CID 21297413

IUPAC3-methyl-4-nitropyridine-2-carboxylic acid
SMILESCc1c([N+](=O)[O-])ccnc1C(=O)O
InChIInChI=1S/C7H6N2O4/c1-4-5(9(12)13)2-3-8-6(4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyCSLIOHVICYQKHA-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.00
Rot. Bonds2

About 3-methyl-4-nitropyridine-2-carboxylic acid

3-methyl-4-nitropyridine-2-carboxylic acid (PubChem CID 21297413) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-methyl-4-nitropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-nitropyridine-2-carboxylic acid
PubChem CID21297413
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name3-methyl-4-nitropyridine-2-carboxylic acid
SMILESCc1c([N+](=O)[O-])ccnc1C(=O)O
InChIInChI=1S/C7H6N2O4/c1-4-5(9(12)13)2-3-8-6(4)7(10)11/h2-3H,1H3,(H,10,11)
InChIKeyCSLIOHVICYQKHA-UHFFFAOYSA-N
XLogP1.00
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-nitropyridine-2-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

3-bromo-4-nitropyridine-2-carboxylic acid
CID 131073239
3-methyl-4-nitropyridin-2-amine
CID 19758038
2-ethoxy-3-methyl-4-nitropyridine
CID 133054442
3-[(2-methyl-3-nitrophenyl)methoxy]pyridine-2-carboxylic acid
CID 61380157
3-methyl-4-nitropyridine-2-carbaldehyde
CID 118192717
4-chloro-3-methylpyridine-2-carboxylic acid;ethane
CID 143215962
sodium 2-carboxy-3-methyl-4-nitrophenolate
CID 57376467
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
3-(difluoromethyl)-4-methyl-5-nitropyridine-2-carboxylic acid
CID 130088338
5-methyl-1-(2-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxylic acid
CID 63981948
3-chloro-2-methyl-4-nitropyridine
CID 21364039
2-fluoro-3-methyl-4-nitrobenzoic acid
CID 122405032

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitropyridine-2-carboxylic acid?
The IUPAC name of 3-methyl-4-nitropyridine-2-carboxylic acid (CID 21297413) is 3-methyl-4-nitropyridine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-4-nitropyridine-2-carboxylic acid?
The canonical SMILES for 3-methyl-4-nitropyridine-2-carboxylic acid is Cc1c([N+](=O)[O-])ccnc1C(=O)O.
What is the InChIKey of 3-methyl-4-nitropyridine-2-carboxylic acid?
The InChIKey is CSLIOHVICYQKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c1-4-5(9(12)13)2-3-8-6(4)7(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 3-methyl-4-nitropyridine-2-carboxylic acid?
3-methyl-4-nitropyridine-2-carboxylic acid has a molecular weight of 182.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitropyridine-2-carboxylic acid is sourced from PubChem (CID 21297413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).