5-bromo-2-(difluoromethyl)-4-methylpyridine

C7H6BrF2N — CID 130095051

IUPAC5-bromo-2-(difluoromethyl)-4-methylpyridine
SMILESCc1cc(C(F)F)ncc1Br
InChIInChI=1S/C7H6BrF2N/c1-4-2-6(7(9)10)11-3-5(4)8/h2-3,7H,1H3
InChIKeyRBHSMWMRFYGTAT-UHFFFAOYSA-N
MW222.03 g/mol
LogP3.09
Rot. Bonds1

About 5-bromo-2-(difluoromethyl)-4-methylpyridine

5-bromo-2-(difluoromethyl)-4-methylpyridine (PubChem CID 130095051) has the molecular formula C7H6BrF2N and a molecular weight of 222.03 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-4-methylpyridine
PubChem CID130095051
Molecular FormulaC7H6BrF2N
Molecular Weight222.03 g/mol
Exact Mass220.97
IUPAC Name5-bromo-2-(difluoromethyl)-4-methylpyridine
SMILESCc1cc(C(F)F)ncc1Br
InChIInChI=1S/C7H6BrF2N/c1-4-2-6(7(9)10)11-3-5(4)8/h2-3,7H,1H3
InChIKeyRBHSMWMRFYGTAT-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-4-methylpyridine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-4-methylpyridine (CID 130095051) is 5-bromo-2-(difluoromethyl)-4-methylpyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-4-methylpyridine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-4-methylpyridine is Cc1cc(C(F)F)ncc1Br.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-4-methylpyridine?
The InChIKey is RBHSMWMRFYGTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N/c1-4-2-6(7(9)10)11-3-5(4)8/h2-3,7H,1H3.
What are the key properties of 5-bromo-2-(difluoromethyl)-4-methylpyridine?
5-bromo-2-(difluoromethyl)-4-methylpyridine has a molecular weight of 222.03 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-4-methylpyridine is sourced from PubChem (CID 130095051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).