3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine

C7H5BrF3N — CID 155463702

IUPAC3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
SMILESCC(F)(F)c1ncc(F)cc1Br
InChIInChI=1S/C7H5BrF3N/c1-7(10,11)6-5(8)2-4(9)3-12-6/h2-3H,1H3
InChIKeyYFVGPOYECRCQKN-UHFFFAOYSA-N
MW240.02 g/mol
LogP3.09
Rot. Bonds1

About 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine

3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine (PubChem CID 155463702) has the molecular formula C7H5BrF3N and a molecular weight of 240.02 g/mol. Its IUPAC name is 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
PubChem CID155463702
Molecular FormulaC7H5BrF3N
Molecular Weight240.02 g/mol
Exact Mass238.96
IUPAC Name3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine
SMILESCC(F)(F)c1ncc(F)cc1Br
InChIInChI=1S/C7H5BrF3N/c1-7(10,11)6-5(8)2-4(9)3-12-6/h2-3H,1H3
InChIKeyYFVGPOYECRCQKN-UHFFFAOYSA-N
XLogP3.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.02
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine?
The IUPAC name of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine (CID 155463702) is 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine.
What is the SMILES notation for 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine?
The canonical SMILES for 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine is CC(F)(F)c1ncc(F)cc1Br.
What is the InChIKey of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine?
The InChIKey is YFVGPOYECRCQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N/c1-7(10,11)6-5(8)2-4(9)3-12-6/h2-3H,1H3.
What are the key properties of 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine?
3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine has a molecular weight of 240.02 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 3-bromo-2-(1,1-difluoroethyl)-5-fluoropyridine is sourced from PubChem (CID 155463702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).