4-(2,4-difluorophenyl)-2-hydroxybenzonitrile

C13H7F2NO — CID 53219935

IUPAC4-(2,4-difluorophenyl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2F)cc1O
InChIInChI=1S/C13H7F2NO/c14-10-3-4-11(12(15)6-10)8-1-2-9(7-16)13(17)5-8/h1-6,17H
InChIKeyNOLKPZFYEZONED-UHFFFAOYSA-N
MW231.20 g/mol
LogP3.21
Rot. Bonds1

About 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile

4-(2,4-difluorophenyl)-2-hydroxybenzonitrile (PubChem CID 53219935) has the molecular formula C13H7F2NO and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-hydroxybenzonitrile
PubChem CID53219935
Molecular FormulaC13H7F2NO
Molecular Weight231.20 g/mol
Exact Mass231.05
IUPAC Name4-(2,4-difluorophenyl)-2-hydroxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(F)cc2F)cc1O
InChIInChI=1S/C13H7F2NO/c14-10-3-4-11(12(15)6-10)8-1-2-9(7-16)13(17)5-8/h1-6,17H
InChIKeyNOLKPZFYEZONED-UHFFFAOYSA-N
XLogP3.21
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile?
The IUPAC name of 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile (CID 53219935) is 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile is N#Cc1ccc(-c2ccc(F)cc2F)cc1O.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile?
The InChIKey is NOLKPZFYEZONED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2NO/c14-10-3-4-11(12(15)6-10)8-1-2-9(7-16)13(17)5-8/h1-6,17H.
What are the key properties of 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile?
4-(2,4-difluorophenyl)-2-hydroxybenzonitrile has a molecular weight of 231.20 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 53219935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).