4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile

C14H9ClN2O — CID 135657361

IUPAC4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H9ClN2O/c15-12-3-6-14(18)11(7-12)9-17-13-4-1-10(8-16)2-5-13/h1-7,9,18H/b17-9+
InChIKeyKUESNUZCWUFCEE-RQZCQDPDSA-N
MW256.69 g/mol
LogP3.67
Rot. Bonds2

About 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile

4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile (PubChem CID 135657361) has the molecular formula C14H9ClN2O and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
PubChem CID135657361
Molecular FormulaC14H9ClN2O
Molecular Weight256.69 g/mol
Exact Mass256.04
IUPAC Name4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1
InChIInChI=1S/C14H9ClN2O/c15-12-3-6-14(18)11(7-12)9-17-13-4-1-10(8-16)2-5-13/h1-7,9,18H/b17-9+
InChIKeyKUESNUZCWUFCEE-RQZCQDPDSA-N
XLogP3.67
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile?
The IUPAC name of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile (CID 135657361) is 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile?
The canonical SMILES for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile is N#Cc1ccc(/N=C/c2cc(Cl)ccc2O)cc1.
What is the InChIKey of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile?
The InChIKey is KUESNUZCWUFCEE-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H9ClN2O/c15-12-3-6-14(18)11(7-12)9-17-13-4-1-10(8-16)2-5-13/h1-7,9,18H/b17-9+.
What are the key properties of 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile?
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile has a molecular weight of 256.69 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 135657361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).