2-bromo-6-nitropyridine-3-carboxylic acid

C6H3BrN2O4 — CID 130822833

IUPAC2-bromo-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])nc1Br
InChIInChI=1S/C6H3BrN2O4/c7-5-3(6(10)11)1-2-4(8-5)9(12)13/h1-2H,(H,10,11)
InChIKeyRKYBKNUPINASCN-UHFFFAOYSA-N
MW247.00 g/mol
LogP1.45
Rot. Bonds2

About 2-bromo-6-nitropyridine-3-carboxylic acid

2-bromo-6-nitropyridine-3-carboxylic acid (PubChem CID 130822833) has the molecular formula C6H3BrN2O4 and a molecular weight of 247.00 g/mol. Its IUPAC name is 2-bromo-6-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-bromo-6-nitropyridine-3-carboxylic acid
PubChem CID130822833
Molecular FormulaC6H3BrN2O4
Molecular Weight247.00 g/mol
Exact Mass245.93
IUPAC Name2-bromo-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1ccc([N+](=O)[O-])nc1Br
InChIInChI=1S/C6H3BrN2O4/c7-5-3(6(10)11)1-2-4(8-5)9(12)13/h1-2H,(H,10,11)
InChIKeyRKYBKNUPINASCN-UHFFFAOYSA-N
XLogP1.45
TPSA93.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.00
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-6-nitropyridine-3-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-6-nitropyridine-2-carboxylic acid
CID 130773818
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
CID 119002406
2-bromo-6-nitropyridine-3-carbonitrile
CID 118990740
2-bromo-6-propan-2-ylpyridine-3-carboxylic acid
CID 84704265
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
2-hydroxy-4-[(6-nitro-3-pyridinyl)amino]benzoic acid
CID 28854217
5-amino-2-nitropyridine-4-carboxylic acid
CID 127018665
2-bromo-4-(5-bromo-3-nitro-1,2,4-triazol-1-yl)benzoic acid
CID 107282403
4-(4-carboxy-3-nitrophenyl)-2-nitrobenzoic acid
CID 18966829
bis(4-nitrophthalic acid);zirconium
CID 5176883
3-bromo-2-cyano-4-nitrobenzoic acid
CID 131474377

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-nitropyridine-3-carboxylic acid?
The IUPAC name of 2-bromo-6-nitropyridine-3-carboxylic acid (CID 130822833) is 2-bromo-6-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 2-bromo-6-nitropyridine-3-carboxylic acid?
The canonical SMILES for 2-bromo-6-nitropyridine-3-carboxylic acid is O=C(O)c1ccc([N+](=O)[O-])nc1Br.
What is the InChIKey of 2-bromo-6-nitropyridine-3-carboxylic acid?
The InChIKey is RKYBKNUPINASCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O4/c7-5-3(6(10)11)1-2-4(8-5)9(12)13/h1-2H,(H,10,11).
What are the key properties of 2-bromo-6-nitropyridine-3-carboxylic acid?
2-bromo-6-nitropyridine-3-carboxylic acid has a molecular weight of 247.00 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 130822833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).