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

C8H7BrClF2N — CID 130074144

IUPAC6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
SMILESCc1c(Cl)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H7BrClF2N/c1-4-6(10)2-5(3-9)13-7(4)8(11)12/h2,8H,3H2,1H3
InChIKeyDANUYOACWNIYNJ-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.88
Rot. Bonds2

About 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine

6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine (PubChem CID 130074144) has the molecular formula C8H7BrClF2N and a molecular weight of 270.50 g/mol. Its IUPAC name is 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine.

Molecular Properties

Compound Name6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
PubChem CID130074144
Molecular FormulaC8H7BrClF2N
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
SMILESCc1c(Cl)cc(CBr)nc1C(F)F
InChIInChI=1S/C8H7BrClF2N/c1-4-6(10)2-5(3-9)13-7(4)8(11)12/h2,8H,3H2,1H3
InChIKeyDANUYOACWNIYNJ-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 53.88
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

6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
methyl 2-[4-chloro-6-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134672119
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
CID 130074149
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
ethyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134684376
2-[6-(bromomethyl)-4-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130075144
methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134676136

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine?
The IUPAC name of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine (CID 130074144) is 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine.
What is the SMILES notation for 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine?
The canonical SMILES for 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine is Cc1c(Cl)cc(CBr)nc1C(F)F.
What is the InChIKey of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine?
The InChIKey is DANUYOACWNIYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2N/c1-4-6(10)2-5(3-9)13-7(4)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine?
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine has a molecular weight of 270.50 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine is sourced from PubChem (CID 130074144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).