4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile

C15H9N5O3 — CID 135489025

IUPAC4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N/N=C/c2ccccc2O)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H9N5O3/c16-7-11-5-13(14(20(22)23)6-12(11)8-17)19-18-9-10-3-1-2-4-15(10)21/h1-6,9,19,21H/b18-9+
InChIKeyTZACSYDNEPVPMP-GIJQJNRQSA-N
MW307.27 g/mol
LogP2.49
Rot. Bonds4

About 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile

4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile (PubChem CID 135489025) has the molecular formula C15H9N5O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
PubChem CID135489025
Molecular FormulaC15H9N5O3
Molecular Weight307.27 g/mol
Exact Mass307.07
IUPAC Name4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N/N=C/c2ccccc2O)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C15H9N5O3/c16-7-11-5-13(14(20(22)23)6-12(11)8-17)19-18-9-10-3-1-2-4-15(10)21/h1-6,9,19,21H/b18-9+
InChIKeyTZACSYDNEPVPMP-GIJQJNRQSA-N
XLogP2.49
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile (CID 135489025) is 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is N#Cc1cc(N/N=C/c2ccccc2O)c([N+](=O)[O-])cc1C#N.
What is the InChIKey of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The InChIKey is TZACSYDNEPVPMP-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H9N5O3/c16-7-11-5-13(14(20(22)23)6-12(11)8-17)19-18-9-10-3-1-2-4-15(10)21/h1-6,9,19,21H/b18-9+.
What are the key properties of 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile has a molecular weight of 307.27 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 135489025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).