2-amino-5-nitropyridine-4-carboxylate

C6H4N3O4- — CID 71302450

IUPAC2-amino-5-nitropyridine-4-carboxylate
SMILESNc1cc(C(=O)[O-])c([N+](=O)[O-])cn1
InChIInChI=1S/C6H5N3O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)/p-1
InChIKeyDCHWNCQMEJONFH-UHFFFAOYSA-M
MW182.12 g/mol
LogP-1.06
Rot. Bonds2

About 2-amino-5-nitropyridine-4-carboxylate

2-amino-5-nitropyridine-4-carboxylate (PubChem CID 71302450) has the molecular formula C6H4N3O4- and a molecular weight of 182.12 g/mol. Its IUPAC name is 2-amino-5-nitropyridine-4-carboxylate.

Molecular Properties

Compound Name2-amino-5-nitropyridine-4-carboxylate
PubChem CID71302450
Molecular FormulaC6H4N3O4-
Molecular Weight182.12 g/mol
Exact Mass182.02
IUPAC Name2-amino-5-nitropyridine-4-carboxylate
SMILESNc1cc(C(=O)[O-])c([N+](=O)[O-])cn1
InChIInChI=1S/C6H5N3O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)/p-1
InChIKeyDCHWNCQMEJONFH-UHFFFAOYSA-M
XLogP-1.06
TPSA122.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.12
LogP ≤ 5-1.06
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 2-amino-5-nitropyridine-4-carboxylate 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-amino-5-nitropyridine-4-carboxamide
CID 19034952
2-amino-N-(2-methylsulfanylethyl)-5-nitropyridine-4-carboxamide
CID 114090110
2-amino-N-ethyl-5-nitro-N-propylpyridine-4-carboxamide
CID 114089856
2-amino-N-(3-hydroxypropyl)-N-methyl-5-nitropyridine-4-carboxamide
CID 114230892
(2-amino-5-nitro-4-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 114090038
2-amino-5-nitro-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295603
4-(chloromethyl)-5-nitropyridin-2-amine
CID 19034780
2-amino-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218076
azanium 5-amino-4-chloro-2-nitrobenzoate
CID 132962458
sodium 4-amino-2-methoxy-5-nitrobenzoate
CID 21275767
5-methyl-2,4-dinitrobenzoate
CID 3671899
6-nitro-1,3-benzodioxole-5-carboxylate
CID 6994262

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-nitropyridine-4-carboxylate?
The IUPAC name of 2-amino-5-nitropyridine-4-carboxylate (CID 71302450) is 2-amino-5-nitropyridine-4-carboxylate.
What is the SMILES notation for 2-amino-5-nitropyridine-4-carboxylate?
The canonical SMILES for 2-amino-5-nitropyridine-4-carboxylate is Nc1cc(C(=O)[O-])c([N+](=O)[O-])cn1.
What is the InChIKey of 2-amino-5-nitropyridine-4-carboxylate?
The InChIKey is DCHWNCQMEJONFH-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5N3O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)/p-1.
What are the key properties of 2-amino-5-nitropyridine-4-carboxylate?
2-amino-5-nitropyridine-4-carboxylate has a molecular weight of 182.12 g/mol, XLogP of -1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-nitropyridine-4-carboxylate is sourced from PubChem (CID 71302450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).