4-(4-amino-2-hydroxyphenyl)benzonitrile

C13H10N2O — CID 22023329

IUPAC4-(4-amino-2-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(N)cc2O)cc1
InChIInChI=1S/C13H10N2O/c14-8-9-1-3-10(4-2-9)12-6-5-11(15)7-13(12)16/h1-7,16H,15H2
InChIKeyDLGYUYGMJRDXEX-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.51
Rot. Bonds1

About 4-(4-amino-2-hydroxyphenyl)benzonitrile

4-(4-amino-2-hydroxyphenyl)benzonitrile (PubChem CID 22023329) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-(4-amino-2-hydroxyphenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-amino-2-hydroxyphenyl)benzonitrile
PubChem CID22023329
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name4-(4-amino-2-hydroxyphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(N)cc2O)cc1
InChIInChI=1S/C13H10N2O/c14-8-9-1-3-10(4-2-9)12-6-5-11(15)7-13(12)16/h1-7,16H,15H2
InChIKeyDLGYUYGMJRDXEX-UHFFFAOYSA-N
XLogP2.51
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-hydroxyphenyl)benzonitrile?
The IUPAC name of 4-(4-amino-2-hydroxyphenyl)benzonitrile (CID 22023329) is 4-(4-amino-2-hydroxyphenyl)benzonitrile.
What is the SMILES notation for 4-(4-amino-2-hydroxyphenyl)benzonitrile?
The canonical SMILES for 4-(4-amino-2-hydroxyphenyl)benzonitrile is N#Cc1ccc(-c2ccc(N)cc2O)cc1.
What is the InChIKey of 4-(4-amino-2-hydroxyphenyl)benzonitrile?
The InChIKey is DLGYUYGMJRDXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c14-8-9-1-3-10(4-2-9)12-6-5-11(15)7-13(12)16/h1-7,16H,15H2.
What are the key properties of 4-(4-amino-2-hydroxyphenyl)benzonitrile?
4-(4-amino-2-hydroxyphenyl)benzonitrile has a molecular weight of 210.24 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-hydroxyphenyl)benzonitrile is sourced from PubChem (CID 22023329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).