3-(bromomethyl)-4-chloro-2-methylpyridine

C7H7BrClN — CID 130772203

IUPAC3-(bromomethyl)-4-chloro-2-methylpyridine
SMILESCc1nccc(Cl)c1CBr
InChIInChI=1S/C7H7BrClN/c1-5-6(4-8)7(9)2-3-10-5/h2-3H,4H2,1H3
InChIKeyTYYCGNSYANEBFB-UHFFFAOYSA-N
MW220.50 g/mol
LogP2.94
Rot. Bonds1

About 3-(bromomethyl)-4-chloro-2-methylpyridine

3-(bromomethyl)-4-chloro-2-methylpyridine (PubChem CID 130772203) has the molecular formula C7H7BrClN and a molecular weight of 220.50 g/mol. Its IUPAC name is 3-(bromomethyl)-4-chloro-2-methylpyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-chloro-2-methylpyridine
PubChem CID130772203
Molecular FormulaC7H7BrClN
Molecular Weight220.50 g/mol
Exact Mass218.95
IUPAC Name3-(bromomethyl)-4-chloro-2-methylpyridine
SMILESCc1nccc(Cl)c1CBr
InChIInChI=1S/C7H7BrClN/c1-5-6(4-8)7(9)2-3-10-5/h2-3H,4H2,1H3
InChIKeyTYYCGNSYANEBFB-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(bromomethyl)-2,4-dimethylpyridine
CID 59589473
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
3-(2-bromoethyl)-2,4-dimethylpyridine
CID 174721738
3-(chloromethyl)-2-methylpyridin-4-amine
CID 130981451
4-chloro-2-methylpyridine-3-sulfonyl chloride
CID 151415584
3-chloro-2-methylpyridine;dichloromethane
CID 174920232
2-(bromomethyl)-4-chloro-3-fluoropyridine;hydrobromide
CID 138040566
3-chloro-2,4-dimethylpyridine
CID 12508368
4-chloro-2-methylpyridine-3-carboxylic acid;hydrochloride
CID 155943900
4-chloroquinoline;ethane
CID 91461667
2,4-dimethyl-3-propylpyridine
CID 14197863
4-chloro-3-(difluoromethoxy)-2-methylpyridine
CID 18629352

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-chloro-2-methylpyridine?
The IUPAC name of 3-(bromomethyl)-4-chloro-2-methylpyridine (CID 130772203) is 3-(bromomethyl)-4-chloro-2-methylpyridine.
What is the SMILES notation for 3-(bromomethyl)-4-chloro-2-methylpyridine?
The canonical SMILES for 3-(bromomethyl)-4-chloro-2-methylpyridine is Cc1nccc(Cl)c1CBr.
What is the InChIKey of 3-(bromomethyl)-4-chloro-2-methylpyridine?
The InChIKey is TYYCGNSYANEBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClN/c1-5-6(4-8)7(9)2-3-10-5/h2-3H,4H2,1H3.
What are the key properties of 3-(bromomethyl)-4-chloro-2-methylpyridine?
3-(bromomethyl)-4-chloro-2-methylpyridine has a molecular weight of 220.50 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-chloro-2-methylpyridine is sourced from PubChem (CID 130772203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).