4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile

C28H22N6O2 — CID 139084695

IUPAC4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
SMILESN#Cc1ccc(N/N=C/c2ccccc2O)cc1.N#Cc1ccc(N/N=C/c2ccccc2O)cc1
InChIInChI=1S/2C14H11N3O/c2*15-9-11-5-7-13(8-6-11)17-16-10-12-3-1-2-4-14(12)18/h2*1-8,10,17-18H/b2*16-10+
InChIKeyMRYAIYRDFLZFPN-UDGBXGIMSA-N
MW474.52 g/mol
LogP5.42
Rot. Bonds6

About 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile

4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile (PubChem CID 139084695) has the molecular formula C28H22N6O2 and a molecular weight of 474.52 g/mol. Its IUPAC name is 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile.

Molecular Properties

Compound Name4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
PubChem CID139084695
Molecular FormulaC28H22N6O2
Molecular Weight474.52 g/mol
Exact Mass474.18
IUPAC Name4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile
SMILESN#Cc1ccc(N/N=C/c2ccccc2O)cc1.N#Cc1ccc(N/N=C/c2ccccc2O)cc1
InChIInChI=1S/2C14H11N3O/c2*15-9-11-5-7-13(8-6-11)17-16-10-12-3-1-2-4-14(12)18/h2*1-8,10,17-18H/b2*16-10+
InChIKeyMRYAIYRDFLZFPN-UDGBXGIMSA-N
XLogP5.42
TPSA136.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 3681408
4-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4850995
2-[(Z)-[(2,3,4,5,6-pentafluorophenyl)hydrazinylidene]methyl]phenol
CID 136672918
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 136807782
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383531
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
N-(4-cyanophenyl)-N'-[(E)-(2-fluorophenyl)methylideneamino]oxamide
CID 19659771
methyl 4-[(E)-[(4-cyanophenyl)hydrazinylidene]methyl]benzoate
CID 46915929
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
1,3-bis[(2-hydroxyphenyl)methylideneamino]thiourea
CID 3446799

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile?
The IUPAC name of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile (CID 139084695) is 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile.
What is the SMILES notation for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile?
The canonical SMILES for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile is N#Cc1ccc(N/N=C/c2ccccc2O)cc1.N#Cc1ccc(N/N=C/c2ccccc2O)cc1.
What is the InChIKey of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile?
The InChIKey is MRYAIYRDFLZFPN-UDGBXGIMSA-N. The full InChI is InChI=1S/2C14H11N3O/c2*15-9-11-5-7-13(8-6-11)17-16-10-12-3-1-2-4-14(12)18/h2*1-8,10,17-18H/b2*16-10+.
What are the key properties of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile?
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile has a molecular weight of 474.52 g/mol, XLogP of 5.42, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]benzonitrile is sourced from PubChem (CID 139084695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).