3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile

C13H7BrFNO — CID 156573290

IUPAC3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H7BrFNO/c14-12-5-8(7-16)4-11(13(12)17)9-2-1-3-10(15)6-9/h1-6,17H
InChIKeyCUYVARGYLFWGGT-UHFFFAOYSA-N
MW292.11 g/mol
LogP3.83
Rot. Bonds1

About 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile

3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile (PubChem CID 156573290) has the molecular formula C13H7BrFNO and a molecular weight of 292.11 g/mol. Its IUPAC name is 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile
PubChem CID156573290
Molecular FormulaC13H7BrFNO
Molecular Weight292.11 g/mol
Exact Mass290.97
IUPAC Name3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile
SMILESN#Cc1cc(Br)c(O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C13H7BrFNO/c14-12-5-8(7-16)4-11(13(12)17)9-2-1-3-10(15)6-9/h1-6,17H
InChIKeyCUYVARGYLFWGGT-UHFFFAOYSA-N
XLogP3.83
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile?
The IUPAC name of 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile (CID 156573290) is 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile.
What is the SMILES notation for 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile?
The canonical SMILES for 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile is N#Cc1cc(Br)c(O)c(-c2cccc(F)c2)c1.
What is the InChIKey of 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile?
The InChIKey is CUYVARGYLFWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFNO/c14-12-5-8(7-16)4-11(13(12)17)9-2-1-3-10(15)6-9/h1-6,17H.
What are the key properties of 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile?
3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile has a molecular weight of 292.11 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3-fluorophenyl)-4-hydroxybenzonitrile is sourced from PubChem (CID 156573290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).