5-bromo-8-(difluoromethyl)quinoline

C10H6BrF2N — CID 131699729

IUPAC5-bromo-8-(difluoromethyl)quinoline
SMILESFC(F)c1ccc(Br)c2cccnc12
InChIInChI=1S/C10H6BrF2N/c11-8-4-3-7(10(12)13)9-6(8)2-1-5-14-9/h1-5,10H
InChIKeyBPYZCNNGIVVAQS-UHFFFAOYSA-N
MW258.06 g/mol
LogP3.93
Rot. Bonds1

About 5-bromo-8-(difluoromethyl)quinoline

5-bromo-8-(difluoromethyl)quinoline (PubChem CID 131699729) has the molecular formula C10H6BrF2N and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-bromo-8-(difluoromethyl)quinoline.

Molecular Properties

Compound Name5-bromo-8-(difluoromethyl)quinoline
PubChem CID131699729
Molecular FormulaC10H6BrF2N
Molecular Weight258.06 g/mol
Exact Mass256.97
IUPAC Name5-bromo-8-(difluoromethyl)quinoline
SMILESFC(F)c1ccc(Br)c2cccnc12
InChIInChI=1S/C10H6BrF2N/c11-8-4-3-7(10(12)13)9-6(8)2-1-5-14-9/h1-5,10H
InChIKeyBPYZCNNGIVVAQS-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-bromo-8-(difluoromethyl)quinoline 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 5-bromo-8-(difluoromethyl)quinoline?
The IUPAC name of 5-bromo-8-(difluoromethyl)quinoline (CID 131699729) is 5-bromo-8-(difluoromethyl)quinoline.
What is the SMILES notation for 5-bromo-8-(difluoromethyl)quinoline?
The canonical SMILES for 5-bromo-8-(difluoromethyl)quinoline is FC(F)c1ccc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-8-(difluoromethyl)quinoline?
The InChIKey is BPYZCNNGIVVAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N/c11-8-4-3-7(10(12)13)9-6(8)2-1-5-14-9/h1-5,10H.
What are the key properties of 5-bromo-8-(difluoromethyl)quinoline?
5-bromo-8-(difluoromethyl)quinoline has a molecular weight of 258.06 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-(difluoromethyl)quinoline is sourced from PubChem (CID 131699729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).