2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile

C14H10N2O2 — CID 717751

IUPAC2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1cccc(O)c1O
InChIInChI=1S/C14H10N2O2/c15-8-10-4-1-2-6-12(10)16-9-11-5-3-7-13(17)14(11)18/h1-7,9,17-18H/b16-9+
InChIKeyFJNOAQJHCUUDTF-CXUHLZMHSA-N
MW238.25 g/mol
LogP2.72
Rot. Bonds2

About 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile

2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile (PubChem CID 717751) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
PubChem CID717751
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
SMILESN#Cc1ccccc1/N=C/c1cccc(O)c1O
InChIInChI=1S/C14H10N2O2/c15-8-10-4-1-2-6-12(10)16-9-11-5-3-7-13(17)14(11)18/h1-7,9,17-18H/b16-9+
InChIKeyFJNOAQJHCUUDTF-CXUHLZMHSA-N
XLogP2.72
TPSA76.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile?
The IUPAC name of 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile (CID 717751) is 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile?
The canonical SMILES for 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile is N#Cc1ccccc1/N=C/c1cccc(O)c1O.
What is the InChIKey of 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile?
The InChIKey is FJNOAQJHCUUDTF-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-8-10-4-1-2-6-12(10)16-9-11-5-3-7-13(17)14(11)18/h1-7,9,17-18H/b16-9+.
What are the key properties of 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile?
2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 717751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).