2-bromo-6-chloro-3-methyl-4-nitropyridine

C6H4BrClN2O2 — CID 119011436

IUPAC2-bromo-6-chloro-3-methyl-4-nitropyridine
SMILESCc1c([N+](=O)[O-])cc(Cl)nc1Br
InChIInChI=1S/C6H4BrClN2O2/c1-3-4(10(11)12)2-5(8)9-6(3)7/h2H,1H3
InChIKeyOYWNIFDYYHBWIN-UHFFFAOYSA-N
MW251.47 g/mol
LogP2.71
Rot. Bonds1

About 2-bromo-6-chloro-3-methyl-4-nitropyridine

2-bromo-6-chloro-3-methyl-4-nitropyridine (PubChem CID 119011436) has the molecular formula C6H4BrClN2O2 and a molecular weight of 251.47 g/mol. Its IUPAC name is 2-bromo-6-chloro-3-methyl-4-nitropyridine.

Molecular Properties

Compound Name2-bromo-6-chloro-3-methyl-4-nitropyridine
PubChem CID119011436
Molecular FormulaC6H4BrClN2O2
Molecular Weight251.47 g/mol
Exact Mass249.91
IUPAC Name2-bromo-6-chloro-3-methyl-4-nitropyridine
SMILESCc1c([N+](=O)[O-])cc(Cl)nc1Br
InChIInChI=1S/C6H4BrClN2O2/c1-3-4(10(11)12)2-5(8)9-6(3)7/h2H,1H3
InChIKeyOYWNIFDYYHBWIN-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-4-nitropyridin-3-ol
CID 154897670
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119
6-bromo-2-(difluoromethyl)-3-methyl-4-nitropyridine
CID 130069111
1-chloro-2-methyl-5-methylsulfanyl-3-nitrobenzene
CID 131010212
2-bromo-3-chloro-4-methyl-6-nitropyridine
CID 118994473
5-chloro-7-methyl-3-nitro-1H-pyrrolo[3,2-b]pyridine
CID 131031894
2-methyl-1,3,5-trinitrobenzene
CID 87172748
3-chloro-4-methyl-5-nitrobenzoic acid
CID 22107457
1-(bromomethyl)-5-chloro-2-methyl-3-nitrobenzene
CID 130779304
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3-methyl-4-nitropyridine?
The IUPAC name of 2-bromo-6-chloro-3-methyl-4-nitropyridine (CID 119011436) is 2-bromo-6-chloro-3-methyl-4-nitropyridine.
What is the SMILES notation for 2-bromo-6-chloro-3-methyl-4-nitropyridine?
The canonical SMILES for 2-bromo-6-chloro-3-methyl-4-nitropyridine is Cc1c([N+](=O)[O-])cc(Cl)nc1Br.
What is the InChIKey of 2-bromo-6-chloro-3-methyl-4-nitropyridine?
The InChIKey is OYWNIFDYYHBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O2/c1-3-4(10(11)12)2-5(8)9-6(3)7/h2H,1H3.
What are the key properties of 2-bromo-6-chloro-3-methyl-4-nitropyridine?
2-bromo-6-chloro-3-methyl-4-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 2-bromo-6-chloro-3-methyl-4-nitropyridine is sourced from PubChem (CID 119011436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).