2-methoxy-5-nitropyridine-4-carboxylic acid

C7H6N2O5 — CID 105451249

IUPAC2-methoxy-5-nitropyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H6N2O5/c1-14-6-2-4(7(10)11)5(3-8-6)9(12)13/h2-3H,1H3,(H,10,11)
InChIKeyZATBVTVOGBXWKO-UHFFFAOYSA-N
MW198.13 g/mol
LogP0.70
Rot. Bonds3

About 2-methoxy-5-nitropyridine-4-carboxylic acid

2-methoxy-5-nitropyridine-4-carboxylic acid (PubChem CID 105451249) has the molecular formula C7H6N2O5 and a molecular weight of 198.13 g/mol. Its IUPAC name is 2-methoxy-5-nitropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5-nitropyridine-4-carboxylic acid
PubChem CID105451249
Molecular FormulaC7H6N2O5
Molecular Weight198.13 g/mol
Exact Mass198.03
IUPAC Name2-methoxy-5-nitropyridine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)c([N+](=O)[O-])cn1
InChIInChI=1S/C7H6N2O5/c1-14-6-2-4(7(10)11)5(3-8-6)9(12)13/h2-3H,1H3,(H,10,11)
InChIKeyZATBVTVOGBXWKO-UHFFFAOYSA-N
XLogP0.70
TPSA102.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 50.70
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-methoxy-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-(3-methoxypropoxy)-5-nitropyridine-4-carboxylic acid
CID 114089673
5-nitro-2-(2,2,2-trifluoroethoxy)pyridine-4-carboxylic acid
CID 114089663
2-(1-methylpyrrolidin-3-yl)oxy-5-nitropyridine-4-carboxylic acid
CID 112741285
methyl 2-(2-methoxy-5-nitro-4-pyridinyl)acetate
CID 11333606
methyl 1-(2-methoxy-5-nitro-4-pyridinyl)-4-oxocyclohexane-1-carboxylate
CID 134431981
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
tert-butyl N-(2-methoxy-5-nitro-4-pyridinyl)-N-methylcarbamate
CID 178113661
4,6-dimethoxypyridine-3-carboxylic acid
CID 69266328
2-methoxy-5-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476930
2-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 79175885
2-methyl-4-[(4-methyl-5-nitro-2-pyridinyl)oxy]benzoic acid
CID 107672545
5-chloro-4-methoxy-2-nitrobenzoic acid
CID 21388739

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitropyridine-4-carboxylic acid?
The IUPAC name of 2-methoxy-5-nitropyridine-4-carboxylic acid (CID 105451249) is 2-methoxy-5-nitropyridine-4-carboxylic acid.
What is the SMILES notation for 2-methoxy-5-nitropyridine-4-carboxylic acid?
The canonical SMILES for 2-methoxy-5-nitropyridine-4-carboxylic acid is COc1cc(C(=O)O)c([N+](=O)[O-])cn1.
What is the InChIKey of 2-methoxy-5-nitropyridine-4-carboxylic acid?
The InChIKey is ZATBVTVOGBXWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O5/c1-14-6-2-4(7(10)11)5(3-8-6)9(12)13/h2-3H,1H3,(H,10,11).
What are the key properties of 2-methoxy-5-nitropyridine-4-carboxylic acid?
2-methoxy-5-nitropyridine-4-carboxylic acid has a molecular weight of 198.13 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-nitropyridine-4-carboxylic acid is sourced from PubChem (CID 105451249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).