2,4-difluorophenol;4-hydroxybenzonitrile

C13H9F2NO2 — CID 174859454

IUPAC2,4-difluorophenol;4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1.Oc1ccc(F)cc1F
InChIInChI=1S/C7H5NO.C6H4F2O/c8-5-6-1-3-7(9)4-2-6;7-4-1-2-6(9)5(8)3-4/h1-4,9H;1-3,9H
InChIKeyOGYPFTHPYXIVQP-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.93
Rot. Bonds

About 2,4-difluorophenol;4-hydroxybenzonitrile

2,4-difluorophenol;4-hydroxybenzonitrile (PubChem CID 174859454) has the molecular formula C13H9F2NO2 and a molecular weight of 249.22 g/mol. Its IUPAC name is 2,4-difluorophenol;4-hydroxybenzonitrile.

Molecular Properties

Compound Name2,4-difluorophenol;4-hydroxybenzonitrile
PubChem CID174859454
Molecular FormulaC13H9F2NO2
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name2,4-difluorophenol;4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)cc1.Oc1ccc(F)cc1F
InChIInChI=1S/C7H5NO.C6H4F2O/c8-5-6-1-3-7(9)4-2-6;7-4-1-2-6(9)5(8)3-4/h1-4,9H;1-3,9H
InChIKeyOGYPFTHPYXIVQP-UHFFFAOYSA-N
XLogP2.93
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxybenzonitrile
CID 53435365
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
3-cyclopropyl-4-(5-fluoro-2-hydroxyphenyl)benzonitrile
CID 168908239
N-(4-cyanophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 71812072
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
N-(2-amino-4-cyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298380
azane;benzene-1,4-dicarbonitrile
CID 174336566
5-fluoro-2-[(3-fluoro-4-hydroxyphenyl)methylamino]benzonitrile
CID 103703300
4-chloro-3-(2,4-difluorophenyl)benzonitrile
CID 172914923
3-(4-fluorophenyl)-5-hydroxybenzonitrile
CID 53219839

Frequently Asked Questions

What is the IUPAC name of 2,4-difluorophenol;4-hydroxybenzonitrile?
The IUPAC name of 2,4-difluorophenol;4-hydroxybenzonitrile (CID 174859454) is 2,4-difluorophenol;4-hydroxybenzonitrile.
What is the SMILES notation for 2,4-difluorophenol;4-hydroxybenzonitrile?
The canonical SMILES for 2,4-difluorophenol;4-hydroxybenzonitrile is N#Cc1ccc(O)cc1.Oc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorophenol;4-hydroxybenzonitrile?
The InChIKey is OGYPFTHPYXIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO.C6H4F2O/c8-5-6-1-3-7(9)4-2-6;7-4-1-2-6(9)5(8)3-4/h1-4,9H;1-3,9H.
What are the key properties of 2,4-difluorophenol;4-hydroxybenzonitrile?
2,4-difluorophenol;4-hydroxybenzonitrile has a molecular weight of 249.22 g/mol, XLogP of 2.93, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorophenol;4-hydroxybenzonitrile is sourced from PubChem (CID 174859454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).