3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile

C13H7Cl2NO — CID 53220133

IUPAC3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-10-1-2-12(13(15)6-10)9-3-8(7-16)4-11(17)5-9/h1-6,17H
InChIKeyXLNMCIZGWPZZQY-UHFFFAOYSA-N
MW264.11 g/mol
LogP4.24
Rot. Bonds1

About 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile

3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile (PubChem CID 53220133) has the molecular formula C13H7Cl2NO and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile
PubChem CID53220133
Molecular FormulaC13H7Cl2NO
Molecular Weight264.11 g/mol
Exact Mass262.99
IUPAC Name3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile
SMILESN#Cc1cc(O)cc(-c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C13H7Cl2NO/c14-10-1-2-12(13(15)6-10)9-3-8(7-16)4-11(17)5-9/h1-6,17H
InChIKeyXLNMCIZGWPZZQY-UHFFFAOYSA-N
XLogP4.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile (CID 53220133) is 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile is N#Cc1cc(O)cc(-c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile?
The InChIKey is XLNMCIZGWPZZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO/c14-10-1-2-12(13(15)6-10)9-3-8(7-16)4-11(17)5-9/h1-6,17H.
What are the key properties of 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile?
3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile has a molecular weight of 264.11 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-hydroxybenzonitrile is sourced from PubChem (CID 53220133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).