2-bromo-5-(chloromethyl)-4-methylpyridine

C7H7BrClN — CID 102545117

IUPAC2-bromo-5-(chloromethyl)-4-methylpyridine
SMILESCc1cc(Br)ncc1CCl
InChIInChI=1S/C7H7BrClN/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3H2,1H3
InChIKeySEKDUUAZRKXZJC-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.89
Rot. Bonds1

About 2-bromo-5-(chloromethyl)-4-methylpyridine

2-bromo-5-(chloromethyl)-4-methylpyridine (PubChem CID 102545117) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 2-bromo-5-(chloromethyl)-4-methylpyridine.

Molecular Properties

Compound Name2-bromo-5-(chloromethyl)-4-methylpyridine
PubChem CID102545117
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name2-bromo-5-(chloromethyl)-4-methylpyridine
SMILESCc1cc(Br)ncc1CCl
InChIInChI=1S/C7H7BrClN/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3H2,1H3
InChIKeySEKDUUAZRKXZJC-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.50
LogP ≤ 52.89
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 2-bromo-5-(chloromethyl)-4-methylpyridine?
The IUPAC name of 2-bromo-5-(chloromethyl)-4-methylpyridine (CID 102545117) is 2-bromo-5-(chloromethyl)-4-methylpyridine.
What is the SMILES notation for 2-bromo-5-(chloromethyl)-4-methylpyridine?
The canonical SMILES for 2-bromo-5-(chloromethyl)-4-methylpyridine is Cc1cc(Br)ncc1CCl.
What is the InChIKey of 2-bromo-5-(chloromethyl)-4-methylpyridine?
The InChIKey is SEKDUUAZRKXZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-5-2-7(8)10-4-6(5)3-9/h2,4H,3H2,1H3.
What are the key properties of 2-bromo-5-(chloromethyl)-4-methylpyridine?
2-bromo-5-(chloromethyl)-4-methylpyridine has a molecular weight of 220.50 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(chloromethyl)-4-methylpyridine is sourced from PubChem (CID 102545117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).