5-bromo-2-nitropyridine-3-carboxylic acid

C6H3BrN2O4 — CID 131030308

IUPAC5-bromo-2-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O4/c7-3-1-4(6(10)11)5(8-2-3)9(12)13/h1-2H,(H,10,11)
InChIKeyDVJOLGQZSNSZOR-UHFFFAOYSA-N
MW247.00 g/mol
LogP1.45
Rot. Bonds2

About 5-bromo-2-nitropyridine-3-carboxylic acid

5-bromo-2-nitropyridine-3-carboxylic acid (PubChem CID 131030308) has the molecular formula C6H3BrN2O4 and a molecular weight of 247.00 g/mol. Its IUPAC name is 5-bromo-2-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-nitropyridine-3-carboxylic acid
PubChem CID131030308
Molecular FormulaC6H3BrN2O4
Molecular Weight247.00 g/mol
Exact Mass245.93
IUPAC Name5-bromo-2-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cc(Br)cnc1[N+](=O)[O-]
InChIInChI=1S/C6H3BrN2O4/c7-3-1-4(6(10)11)5(8-2-3)9(12)13/h1-2H,(H,10,11)
InChIKeyDVJOLGQZSNSZOR-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-2-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

5-bromo-3-iodo-2-nitropyridine
CID 130647643
5-bromo-3-chloro-2-nitropyridine
CID 131027901
5-bromo-6-nitropyridine-3-carboxylic acid
CID 131190214
5-[(5-bromo-3-nitro-2-pyridinyl)amino]-2-methylbenzoic acid
CID 63652651
3-[(5-bromo-3-nitro-2-pyridinyl)amino]propanoic acid
CID 61229415
6-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 119018210
2-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]benzoic acid
CID 61229419
5-bromo-2-(carboxymethyl)pyridine-3-carboxylic acid
CID 146050007
2-(aminomethyl)-5-bromopyridine-3-carboxylic acid
CID 165451398
5-bromo-2-chloro-3-nitrobenzoic acid
CID 22403367
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-nitropyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-nitropyridine-3-carboxylic acid (CID 131030308) is 5-bromo-2-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-nitropyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-nitropyridine-3-carboxylic acid is O=C(O)c1cc(Br)cnc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-2-nitropyridine-3-carboxylic acid?
The InChIKey is DVJOLGQZSNSZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O4/c7-3-1-4(6(10)11)5(8-2-3)9(12)13/h1-2H,(H,10,11).
What are the key properties of 5-bromo-2-nitropyridine-3-carboxylic acid?
5-bromo-2-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 5-bromo-2-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 131030308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).