5-bromo-2-fluoro-4-hydroxybenzonitrile

C7H3BrFNO — CID 90427411

IUPAC5-bromo-2-fluoro-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)cc1F
InChIInChI=1S/C7H3BrFNO/c8-5-1-4(3-10)6(9)2-7(5)11/h1-2,11H
InChIKeyYESGAMVCLNWVKB-UHFFFAOYSA-N
MW216.01 g/mol
LogP2.17
Rot. Bonds

About 5-bromo-2-fluoro-4-hydroxybenzonitrile

5-bromo-2-fluoro-4-hydroxybenzonitrile (PubChem CID 90427411) has the molecular formula C7H3BrFNO and a molecular weight of 216.01 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-hydroxybenzonitrile.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-hydroxybenzonitrile
PubChem CID90427411
Molecular FormulaC7H3BrFNO
Molecular Weight216.01 g/mol
Exact Mass214.94
IUPAC Name5-bromo-2-fluoro-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)cc1F
InChIInChI=1S/C7H3BrFNO/c8-5-1-4(3-10)6(9)2-7(5)11/h1-2,11H
InChIKeyYESGAMVCLNWVKB-UHFFFAOYSA-N
XLogP2.17
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.01
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-fluoro-4-hydroxybenzonitrile 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-2-fluoro-4-hydroxybenzonitrile?
The IUPAC name of 5-bromo-2-fluoro-4-hydroxybenzonitrile (CID 90427411) is 5-bromo-2-fluoro-4-hydroxybenzonitrile.
What is the SMILES notation for 5-bromo-2-fluoro-4-hydroxybenzonitrile?
The canonical SMILES for 5-bromo-2-fluoro-4-hydroxybenzonitrile is N#Cc1cc(Br)c(O)cc1F.
What is the InChIKey of 5-bromo-2-fluoro-4-hydroxybenzonitrile?
The InChIKey is YESGAMVCLNWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNO/c8-5-1-4(3-10)6(9)2-7(5)11/h1-2,11H.
What are the key properties of 5-bromo-2-fluoro-4-hydroxybenzonitrile?
5-bromo-2-fluoro-4-hydroxybenzonitrile has a molecular weight of 216.01 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-hydroxybenzonitrile is sourced from PubChem (CID 90427411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).