2-bromo-3-(chloromethyl)-5-nitropyridine

C6H4BrClN2O2 — CID 131012860

IUPAC2-bromo-3-(chloromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Br)c(CCl)c1
InChIInChI=1S/C6H4BrClN2O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H,2H2
InChIKeyNVFSYAUMXQLCLB-UHFFFAOYSA-N
MW251.47 g/mol
LogP2.49
Rot. Bonds2

About 2-bromo-3-(chloromethyl)-5-nitropyridine

2-bromo-3-(chloromethyl)-5-nitropyridine (PubChem CID 131012860) has the molecular formula C6H4BrClN2O2 and a molecular weight of 251.47 g/mol. Its IUPAC name is 2-bromo-3-(chloromethyl)-5-nitropyridine.

Molecular Properties

Compound Name2-bromo-3-(chloromethyl)-5-nitropyridine
PubChem CID131012860
Molecular FormulaC6H4BrClN2O2
Molecular Weight251.47 g/mol
Exact Mass249.91
IUPAC Name2-bromo-3-(chloromethyl)-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(Br)c(CCl)c1
InChIInChI=1S/C6H4BrClN2O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H,2H2
InChIKeyNVFSYAUMXQLCLB-UHFFFAOYSA-N
XLogP2.49
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.47
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-chloro-3-(chloromethyl)-5-nitropyridine
CID 172831789
2-chloro-3-ethyl-5-nitropyridine
CID 86657225
2-bromo-3-ethoxy-5-nitropyridine
CID 119000292
4-bromo-5-(chloromethyl)-2-nitropyridine
CID 118827535
2-bromo-5-nitro-3-(trifluoromethyl)pyridine
CID 53486350
3-(bromomethyl)-2-(difluoromethyl)-5-nitropyridine
CID 130097890
1-bromo-3-(chloromethyl)-2-methoxy-5-nitrobenzene
CID 171007712
2-bromo-3-(difluoromethoxy)-5-nitropyridine
CID 130863918
2-(chloromethyl)-5-nitro-3-(trifluoromethyl)pyridine
CID 131500572
3-bromo-5-nitropyridine-2-sulfonamide
CID 79524071
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
2-chloro-3-(4-chlorobut-1-enyl)-5-nitropyridine
CID 170499473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(chloromethyl)-5-nitropyridine?
The IUPAC name of 2-bromo-3-(chloromethyl)-5-nitropyridine (CID 131012860) is 2-bromo-3-(chloromethyl)-5-nitropyridine.
What is the SMILES notation for 2-bromo-3-(chloromethyl)-5-nitropyridine?
The canonical SMILES for 2-bromo-3-(chloromethyl)-5-nitropyridine is O=[N+]([O-])c1cnc(Br)c(CCl)c1.
What is the InChIKey of 2-bromo-3-(chloromethyl)-5-nitropyridine?
The InChIKey is NVFSYAUMXQLCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H,2H2.
What are the key properties of 2-bromo-3-(chloromethyl)-5-nitropyridine?
2-bromo-3-(chloromethyl)-5-nitropyridine has a molecular weight of 251.47 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(chloromethyl)-5-nitropyridine is sourced from PubChem (CID 131012860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).