4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine

C10H12BrF2N — CID 172992499

IUPAC4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine
SMILESCC(C)(C)c1cc(Br)cc(C(F)F)n1
InChIInChI=1S/C10H12BrF2N/c1-10(2,3)8-5-6(11)4-7(14-8)9(12)13/h4-5,9H,1-3H3
InChIKeyWQVJFSUUWUBWCM-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.08
Rot. Bonds1

About 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine

4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine (PubChem CID 172992499) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine
PubChem CID172992499
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine
SMILESCC(C)(C)c1cc(Br)cc(C(F)F)n1
InChIInChI=1S/C10H12BrF2N/c1-10(2,3)8-5-6(11)4-7(14-8)9(12)13/h4-5,9H,1-3H3
InChIKeyWQVJFSUUWUBWCM-UHFFFAOYSA-N
XLogP4.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine?
The IUPAC name of 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine (CID 172992499) is 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine.
What is the SMILES notation for 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine?
The canonical SMILES for 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine is CC(C)(C)c1cc(Br)cc(C(F)F)n1.
What is the InChIKey of 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine?
The InChIKey is WQVJFSUUWUBWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-10(2,3)8-5-6(11)4-7(14-8)9(12)13/h4-5,9H,1-3H3.
What are the key properties of 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine?
4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine has a molecular weight of 264.11 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-tert-butyl-6-(difluoromethyl)pyridine is sourced from PubChem (CID 172992499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).