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

C6H4BrClN2O2 — CID 118994473

IUPAC2-bromo-3-chloro-4-methyl-6-nitropyridine
SMILESCc1cc([N+](=O)[O-])nc(Br)c1Cl
InChIInChI=1S/C6H4BrClN2O2/c1-3-2-4(10(11)12)9-6(7)5(3)8/h2H,1H3
InChIKeyNMWOPJWFXNLCDP-UHFFFAOYSA-N
MW251.47 g/mol
LogP2.71
Rot. Bonds1

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

2-bromo-3-chloro-4-methyl-6-nitropyridine (PubChem CID 118994473) has the molecular formula C6H4BrClN2O2 and a molecular weight of 251.47 g/mol. Its IUPAC name is 2-bromo-3-chloro-4-methyl-6-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-chloro-4-methyl-6-nitropyridine
PubChem CID118994473
Molecular FormulaC6H4BrClN2O2
Molecular Weight251.47 g/mol
Exact Mass249.91
IUPAC Name2-bromo-3-chloro-4-methyl-6-nitropyridine
SMILESCc1cc([N+](=O)[O-])nc(Br)c1Cl
InChIInChI=1S/C6H4BrClN2O2/c1-3-2-4(10(11)12)9-6(7)5(3)8/h2H,1H3
InChIKeyNMWOPJWFXNLCDP-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-3-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118991271
5-chloro-4-methyl-2-nitropyridine
CID 77230639
2-bromo-6-chloro-3-methyl-4-nitropyridine
CID 119011436
2-chloro-4-(difluoromethyl)-6-nitropyridine
CID 118997619
2,3-dichloro-4,6-dinitropyridine
CID 71429452
2,4-dichloro-6-nitropyrimidine
CID 19391209
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
2-bromo-3-(difluoromethyl)-6-nitropyridine-4-carboxylic acid
CID 119002406
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
4-(difluoromethyl)-2-methyl-6-nitropyridin-3-amine
CID 130106264
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
5-bromo-3-chloro-2-methyl-6-nitropyridine
CID 131168018

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-4-methyl-6-nitropyridine?
The IUPAC name of 2-bromo-3-chloro-4-methyl-6-nitropyridine (CID 118994473) is 2-bromo-3-chloro-4-methyl-6-nitropyridine.
What is the SMILES notation for 2-bromo-3-chloro-4-methyl-6-nitropyridine?
The canonical SMILES for 2-bromo-3-chloro-4-methyl-6-nitropyridine is Cc1cc([N+](=O)[O-])nc(Br)c1Cl.
What is the InChIKey of 2-bromo-3-chloro-4-methyl-6-nitropyridine?
The InChIKey is NMWOPJWFXNLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O2/c1-3-2-4(10(11)12)9-6(7)5(3)8/h2H,1H3.
What are the key properties of 2-bromo-3-chloro-4-methyl-6-nitropyridine?
2-bromo-3-chloro-4-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 2-bromo-3-chloro-4-methyl-6-nitropyridine is sourced from PubChem (CID 118994473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).