5-bromo-3-chloro-2-methyl-6-nitropyridine

C6H4BrClN2O2 — CID 131168018

IUPAC5-bromo-3-chloro-2-methyl-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])c(Br)cc1Cl
InChIInChI=1S/C6H4BrClN2O2/c1-3-5(8)2-4(7)6(9-3)10(11)12/h2H,1H3
InChIKeyIMQBREPQPKNWIV-UHFFFAOYSA-N
MW251.47 g/mol
LogP2.71
Rot. Bonds1

About 5-bromo-3-chloro-2-methyl-6-nitropyridine

5-bromo-3-chloro-2-methyl-6-nitropyridine (PubChem CID 131168018) has the molecular formula C6H4BrClN2O2 and a molecular weight of 251.47 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-methyl-6-nitropyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-methyl-6-nitropyridine
PubChem CID131168018
Molecular FormulaC6H4BrClN2O2
Molecular Weight251.47 g/mol
Exact Mass249.91
IUPAC Name5-bromo-3-chloro-2-methyl-6-nitropyridine
SMILESCc1nc([N+](=O)[O-])c(Br)cc1Cl
InChIInChI=1S/C6H4BrClN2O2/c1-3-5(8)2-4(7)6(9-3)10(11)12/h2H,1H3
InChIKeyIMQBREPQPKNWIV-UHFFFAOYSA-N
XLogP2.71
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-2,6-dimethylpyridine
CID 130058647
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
6-bromo-1,3-dimethyl-5-nitroimidazo[4,5-b]pyridin-2-one
CID 3847474
5-bromo-3-chloro-2-nitropyridine
CID 131027901
5-bromo-3-(difluoromethyl)-6-nitropyridin-2-amine
CID 119014971
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
2-bromo-6-chloro-3-methyl-4-nitropyridine
CID 119011436
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
4-bromo-2,6-dichloro-3-nitropyridine
CID 118338335
5-bromo-4-chloro-2-nitropyridine
CID 118994717
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
3-fluoro-2-methyl-6-nitro-5-propan-2-ylpyridine
CID 163691344

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-methyl-6-nitropyridine?
The IUPAC name of 5-bromo-3-chloro-2-methyl-6-nitropyridine (CID 131168018) is 5-bromo-3-chloro-2-methyl-6-nitropyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-methyl-6-nitropyridine?
The canonical SMILES for 5-bromo-3-chloro-2-methyl-6-nitropyridine is Cc1nc([N+](=O)[O-])c(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-methyl-6-nitropyridine?
The InChIKey is IMQBREPQPKNWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O2/c1-3-5(8)2-4(7)6(9-3)10(11)12/h2H,1H3.
What are the key properties of 5-bromo-3-chloro-2-methyl-6-nitropyridine?
5-bromo-3-chloro-2-methyl-6-nitropyridine has a molecular weight of 251.47 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-methyl-6-nitropyridine is sourced from PubChem (CID 131168018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).