3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine

C7H6BrCl2N — CID 130139788

IUPAC3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
SMILESCc1nc(Cl)c(Br)cc1CCl
InChIInChI=1S/C7H6BrCl2N/c1-4-5(3-9)2-6(8)7(10)11-4/h2H,3H2,1H3
InChIKeyCOBRAVGMFODUSO-UHFFFAOYSA-N
MW254.94 g/mol
LogP3.54
Rot. Bonds1

About 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine

3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine (PubChem CID 130139788) has the molecular formula C7H6BrCl2N and a molecular weight of 254.94 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine.

Molecular Properties

Compound Name3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
PubChem CID130139788
Molecular FormulaC7H6BrCl2N
Molecular Weight254.94 g/mol
Exact Mass252.91
IUPAC Name3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine
SMILESCc1nc(Cl)c(Br)cc1CCl
InChIInChI=1S/C7H6BrCl2N/c1-4-5(3-9)2-6(8)7(10)11-4/h2H,3H2,1H3
InChIKeyCOBRAVGMFODUSO-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.94
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine?
The IUPAC name of 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine (CID 130139788) is 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine.
What is the SMILES notation for 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine?
The canonical SMILES for 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine is Cc1nc(Cl)c(Br)cc1CCl.
What is the InChIKey of 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine?
The InChIKey is COBRAVGMFODUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrCl2N/c1-4-5(3-9)2-6(8)7(10)11-4/h2H,3H2,1H3.
What are the key properties of 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine?
3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine has a molecular weight of 254.94 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-(chloromethyl)-6-methylpyridine is sourced from PubChem (CID 130139788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).