5-bromo-6-nitropyridine-3-carboxylic acid

C6H3BrN2O4 — CID 131190214

IUPAC5-bromo-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C6H3BrN2O4/c7-4-1-3(6(10)11)2-8-5(4)9(12)13/h1-2H,(H,10,11)
InChIKeyVVNHCBLAKWDYEB-UHFFFAOYSA-N
MW247.00 g/mol
LogP1.45
Rot. Bonds2

About 5-bromo-6-nitropyridine-3-carboxylic acid

5-bromo-6-nitropyridine-3-carboxylic acid (PubChem CID 131190214) has the molecular formula C6H3BrN2O4 and a molecular weight of 247.00 g/mol. Its IUPAC name is 5-bromo-6-nitropyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-nitropyridine-3-carboxylic acid
PubChem CID131190214
Molecular FormulaC6H3BrN2O4
Molecular Weight247.00 g/mol
Exact Mass245.93
IUPAC Name5-bromo-6-nitropyridine-3-carboxylic acid
SMILESO=C(O)c1cnc([N+](=O)[O-])c(Br)c1
InChIInChI=1S/C6H3BrN2O4/c7-4-1-3(6(10)11)2-8-5(4)9(12)13/h1-2H,(H,10,11)
InChIKeyVVNHCBLAKWDYEB-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-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

5-bromo-2-nitropyridine-3-carboxylic acid
CID 131030308
6-hydrazinyl-5-nitropyridine-3-carboxylic acid
CID 82862825
6-(2-bromoanilino)-5-nitropyridine-3-carboxylic acid
CID 81437692
3-bromo-2-nitro-5-(trifluoromethylsulfanyl)pyridine
CID 133097859
5-bromo-6-chloropyridine-3-carboxylic acid;hydrazine
CID 174723335
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
6-(2-aminoethylamino)-5-nitropyridine-3-carboxylic acid
CID 81437835
6-(tert-butylamino)-5-nitropyridine-3-carboxylic acid
CID 80502721
6-chloro-5-(2-nitroethyl)pyridine-3-carboxylic acid
CID 174607588
3-bromo-5-ethoxy-2-nitropyridine
CID 130631784
6-(3-bromo-5-methylanilino)-5-nitropyridine-3-carboxylic acid
CID 107584155
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-nitropyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-nitropyridine-3-carboxylic acid (CID 131190214) is 5-bromo-6-nitropyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-nitropyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-nitropyridine-3-carboxylic acid is O=C(O)c1cnc([N+](=O)[O-])c(Br)c1.
What is the InChIKey of 5-bromo-6-nitropyridine-3-carboxylic acid?
The InChIKey is VVNHCBLAKWDYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2O4/c7-4-1-3(6(10)11)2-8-5(4)9(12)13/h1-2H,(H,10,11).
What are the key properties of 5-bromo-6-nitropyridine-3-carboxylic acid?
5-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 5-bromo-6-nitropyridine-3-carboxylic acid is sourced from PubChem (CID 131190214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).