2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine

C8H7BrClF2N — CID 130069219

IUPAC2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
SMILESCc1cc(CCl)c(C(F)F)c(Br)n1
InChIInChI=1S/C8H7BrClF2N/c1-4-2-5(3-10)6(8(11)12)7(9)13-4/h2,8H,3H2,1H3
InChIKeyZENBTCFTBDWQRR-UHFFFAOYSA-N
MW270.50 g/mol
LogP3.83
Rot. Bonds2

About 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine

2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine (PubChem CID 130069219) has the molecular formula C8H7BrClF2N and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
PubChem CID130069219
Molecular FormulaC8H7BrClF2N
Molecular Weight270.50 g/mol
Exact Mass268.94
IUPAC Name2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine
SMILESCc1cc(CCl)c(C(F)F)c(Br)n1
InChIInChI=1S/C8H7BrClF2N/c1-4-2-5(3-10)6(8(11)12)7(9)13-4/h2,8H,3H2,1H3
InChIKeyZENBTCFTBDWQRR-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
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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Related Compounds

methyl 4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine-2-carboxylate
CID 130090590
2,6-dibromo-4-chloro-3-(difluoromethyl)pyridine
CID 118834001
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridine-2-carbonitrile
CID 130078289
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
methyl 2-[2-bromo-6-chloro-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134685850
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
2-bromo-3-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine
CID 118995980
2-bromo-3-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 119011286
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
2-bromo-5-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 119019587
2-bromo-4-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119022825

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine?
The IUPAC name of 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine (CID 130069219) is 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine.
What is the SMILES notation for 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine?
The canonical SMILES for 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine is Cc1cc(CCl)c(C(F)F)c(Br)n1.
What is the InChIKey of 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine?
The InChIKey is ZENBTCFTBDWQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2N/c1-4-2-5(3-10)6(8(11)12)7(9)13-4/h2,8H,3H2,1H3.
What are the key properties of 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine?
2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine has a molecular weight of 270.50 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(chloromethyl)-3-(difluoromethyl)-6-methylpyridine is sourced from PubChem (CID 130069219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).