3-bromo-2-chloro-6-nitropyridine

C5H2BrClN2O2 — CID 130779079

IUPAC3-bromo-2-chloro-6-nitropyridine
SMILESO=[N+]([O-])c1ccc(Br)c(Cl)n1
InChIInChI=1S/C5H2BrClN2O2/c6-3-1-2-4(9(10)11)8-5(3)7/h1-2H
InChIKeyQMGQPJXBDMZZJG-UHFFFAOYSA-N
MW237.44 g/mol
LogP2.41
Rot. Bonds1

About 3-bromo-2-chloro-6-nitropyridine

3-bromo-2-chloro-6-nitropyridine (PubChem CID 130779079) has the molecular formula C5H2BrClN2O2 and a molecular weight of 237.44 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-nitropyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-6-nitropyridine
PubChem CID130779079
Molecular FormulaC5H2BrClN2O2
Molecular Weight237.44 g/mol
Exact Mass235.90
IUPAC Name3-bromo-2-chloro-6-nitropyridine
SMILESO=[N+]([O-])c1ccc(Br)c(Cl)n1
InChIInChI=1S/C5H2BrClN2O2/c6-3-1-2-4(9(10)11)8-5(3)7/h1-2H
InChIKeyQMGQPJXBDMZZJG-UHFFFAOYSA-N
XLogP2.41
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-bromo-2-chloro-6-nitropyridine 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-chloro-3-fluoro-6-nitropyridine
CID 119018246
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
3-bromo-6-nitropyridine-2-carboxylic acid
CID 130773818
2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131216692
2-bromo-6-nitropyridine-3-carbonitrile
CID 118990740
2-bromo-6-nitropyridine-3-carboxylic acid
CID 130822833
2,3-dichloro-4,6-dinitropyridine
CID 71429452
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
5-bromo-4-chloro-2-nitropyridine
CID 118994717
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
1-bromo-3,4-dichloro-2-nitrobenzene
CID 118813548
methyl 3-chloro-6-nitropyridine-2-carboxylate
CID 130837719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-nitropyridine?
The IUPAC name of 3-bromo-2-chloro-6-nitropyridine (CID 130779079) is 3-bromo-2-chloro-6-nitropyridine.
What is the SMILES notation for 3-bromo-2-chloro-6-nitropyridine?
The canonical SMILES for 3-bromo-2-chloro-6-nitropyridine is O=[N+]([O-])c1ccc(Br)c(Cl)n1.
What is the InChIKey of 3-bromo-2-chloro-6-nitropyridine?
The InChIKey is QMGQPJXBDMZZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2BrClN2O2/c6-3-1-2-4(9(10)11)8-5(3)7/h1-2H.
What are the key properties of 3-bromo-2-chloro-6-nitropyridine?
3-bromo-2-chloro-6-nitropyridine has a molecular weight of 237.44 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-nitropyridine is sourced from PubChem (CID 130779079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).