2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine

C8H7BrClF2N — CID 130074149

IUPAC2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
SMILESCc1cc(Cl)c(C(F)F)nc1CBr
InChIInChI=1S/C8H7BrClF2N/c1-4-2-5(10)7(8(11)12)13-6(4)3-9/h2,8H,3H2,1H3
InChIKeyXKKSQIFILUOITM-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.88
Rot. Bonds2

About 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine

2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine (PubChem CID 130074149) has the molecular formula C8H7BrClF2N and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
PubChem CID130074149
Molecular FormulaC8H7BrClF2N
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine
SMILESCc1cc(Cl)c(C(F)F)nc1CBr
InChIInChI=1S/C8H7BrClF2N/c1-4-2-5(10)7(8(11)12)13-6(4)3-9/h2,8H,3H2,1H3
InChIKeyXKKSQIFILUOITM-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

2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-fluoropyridine
CID 130071737
2-[5-chloro-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 130074269
2-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 130075309
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144
[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069341
3-(bromomethyl)-5-chloro-6-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075329
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
2-(bromomethyl)-6-chloro-4-(difluoromethyl)-3-methylpyridine
CID 130074151
[5-chloro-6-(difluoromethyl)-3-iodo-2-pyridinyl]methanamine
CID 118814520

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine?
The IUPAC name of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine (CID 130074149) is 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine is Cc1cc(Cl)c(C(F)F)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine?
The InChIKey is XKKSQIFILUOITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2N/c1-4-2-5(10)7(8(11)12)13-6(4)3-9/h2,8H,3H2,1H3.
What are the key properties of 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine?
2-(bromomethyl)-5-chloro-6-(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 2-(bromomethyl)-5-chloro-6-(difluoromethyl)-3-methylpyridine is sourced from PubChem (CID 130074149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).