2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile

C13H7ClFNO — CID 53219542

IUPAC2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile
SMILESN#Cc1cc(-c2ccc(F)c(O)c2)ccc1Cl
InChIInChI=1S/C13H7ClFNO/c14-11-3-1-8(5-10(11)7-16)9-2-4-12(15)13(17)6-9/h1-6,17H
InChIKeyMOXJGALUHAXTLR-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.72
Rot. Bonds1

About 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile

2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile (PubChem CID 53219542) has the molecular formula C13H7ClFNO and a molecular weight of 247.66 g/mol. Its IUPAC name is 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile
PubChem CID53219542
Molecular FormulaC13H7ClFNO
Molecular Weight247.66 g/mol
Exact Mass247.02
IUPAC Name2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile
SMILESN#Cc1cc(-c2ccc(F)c(O)c2)ccc1Cl
InChIInChI=1S/C13H7ClFNO/c14-11-3-1-8(5-10(11)7-16)9-2-4-12(15)13(17)6-9/h1-6,17H
InChIKeyMOXJGALUHAXTLR-UHFFFAOYSA-N
XLogP3.72
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile?
The IUPAC name of 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile (CID 53219542) is 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile?
The canonical SMILES for 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile is N#Cc1cc(-c2ccc(F)c(O)c2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile?
The InChIKey is MOXJGALUHAXTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO/c14-11-3-1-8(5-10(11)7-16)9-2-4-12(15)13(17)6-9/h1-6,17H.
What are the key properties of 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile?
2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile has a molecular weight of 247.66 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-fluoro-3-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 53219542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).