4-bromo-2-(3,3-difluorocyclobutyl)pyridine

C9H8BrF2N — CID 167511633

IUPAC4-bromo-2-(3,3-difluorocyclobutyl)pyridine
SMILESFC1(F)CC(c2cc(Br)ccn2)C1
InChIInChI=1S/C9H8BrF2N/c10-7-1-2-13-8(3-7)6-4-9(11,12)5-6/h1-3,6H,4-5H2
InChIKeyBGANJYRSJDURQT-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.36
Rot. Bonds1

About 4-bromo-2-(3,3-difluorocyclobutyl)pyridine

4-bromo-2-(3,3-difluorocyclobutyl)pyridine (PubChem CID 167511633) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-bromo-2-(3,3-difluorocyclobutyl)pyridine.

Molecular Properties

Compound Name4-bromo-2-(3,3-difluorocyclobutyl)pyridine
PubChem CID167511633
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name4-bromo-2-(3,3-difluorocyclobutyl)pyridine
SMILESFC1(F)CC(c2cc(Br)ccn2)C1
InChIInChI=1S/C9H8BrF2N/c10-7-1-2-13-8(3-7)6-4-9(11,12)5-6/h1-3,6H,4-5H2
InChIKeyBGANJYRSJDURQT-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3,3-difluorocyclobutyl)pyridine?
The IUPAC name of 4-bromo-2-(3,3-difluorocyclobutyl)pyridine (CID 167511633) is 4-bromo-2-(3,3-difluorocyclobutyl)pyridine.
What is the SMILES notation for 4-bromo-2-(3,3-difluorocyclobutyl)pyridine?
The canonical SMILES for 4-bromo-2-(3,3-difluorocyclobutyl)pyridine is FC1(F)CC(c2cc(Br)ccn2)C1.
What is the InChIKey of 4-bromo-2-(3,3-difluorocyclobutyl)pyridine?
The InChIKey is BGANJYRSJDURQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-7-1-2-13-8(3-7)6-4-9(11,12)5-6/h1-3,6H,4-5H2.
What are the key properties of 4-bromo-2-(3,3-difluorocyclobutyl)pyridine?
4-bromo-2-(3,3-difluorocyclobutyl)pyridine has a molecular weight of 248.07 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3,3-difluorocyclobutyl)pyridine is sourced from PubChem (CID 167511633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).