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

C7H5BrClF2N — CID 119017908

IUPAC2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine
SMILESCc1cc(C(F)F)c(Br)nc1Cl
InChIInChI=1S/C7H5BrClF2N/c1-3-2-4(7(10)11)5(8)12-6(3)9/h2,7H,1H3
InChIKeyPPUOXIJPIMMIHO-UHFFFAOYSA-N
MW256.48 g/mol
LogP3.74
Rot. Bonds1

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

2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine (PubChem CID 119017908) has the molecular formula C7H5BrClF2N and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine.

Molecular Properties

Compound Name2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine
PubChem CID119017908
Molecular FormulaC7H5BrClF2N
Molecular Weight256.48 g/mol
Exact Mass254.93
IUPAC Name2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine
SMILESCc1cc(C(F)F)c(Br)nc1Cl
InChIInChI=1S/C7H5BrClF2N/c1-3-2-4(7(10)11)5(8)12-6(3)9/h2,7H,1H3
InChIKeyPPUOXIJPIMMIHO-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-6-chloro-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119019524
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
6-bromo-2-chloro-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130108459
2-chloro-3-(difluoromethyl)-6-iodo-5-methylpyridine
CID 119010207
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
CID 119006322
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254
2-[6-chloro-5-(difluoromethyl)-3-methyl-2-pyridinyl]acetonitrile
CID 119012078

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine?
The IUPAC name of 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine (CID 119017908) is 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine.
What is the SMILES notation for 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine?
The canonical SMILES for 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine is Cc1cc(C(F)F)c(Br)nc1Cl.
What is the InChIKey of 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine?
The InChIKey is PPUOXIJPIMMIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClF2N/c1-3-2-4(7(10)11)5(8)12-6(3)9/h2,7H,1H3.
What are the key properties of 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine?
2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine has a molecular weight of 256.48 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine is sourced from PubChem (CID 119017908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).