3-(4-fluorophenyl)-5-hydroxybenzonitrile

C13H8FNO — CID 53219839

IUPAC3-(4-fluorophenyl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H8FNO/c14-12-3-1-10(2-4-12)11-5-9(8-15)6-13(16)7-11/h1-7,16H
InChIKeyPPBVFTYKOMKGET-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.07
Rot. Bonds1

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

3-(4-fluorophenyl)-5-hydroxybenzonitrile (PubChem CID 53219839) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-hydroxybenzonitrile
PubChem CID53219839
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Name3-(4-fluorophenyl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H8FNO/c14-12-3-1-10(2-4-12)11-5-9(8-15)6-13(16)7-11/h1-7,16H
InChIKeyPPBVFTYKOMKGET-UHFFFAOYSA-N
XLogP3.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-hydroxybenzonitrile?
The IUPAC name of 3-(4-fluorophenyl)-5-hydroxybenzonitrile (CID 53219839) is 3-(4-fluorophenyl)-5-hydroxybenzonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-5-hydroxybenzonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-5-hydroxybenzonitrile is N#Cc1cc(O)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 3-(4-fluorophenyl)-5-hydroxybenzonitrile?
The InChIKey is PPBVFTYKOMKGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-12-3-1-10(2-4-12)11-5-9(8-15)6-13(16)7-11/h1-7,16H.
What are the key properties of 3-(4-fluorophenyl)-5-hydroxybenzonitrile?
3-(4-fluorophenyl)-5-hydroxybenzonitrile has a molecular weight of 213.21 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-hydroxybenzonitrile is sourced from PubChem (CID 53219839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).