4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile

C15H12N4O3 — CID 135643006

IUPAC4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
SMILESC/C(=N\Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C15H12N4O3/c1-10(12-3-5-13(20)6-4-12)17-18-14-7-2-11(9-16)8-15(14)19(21)22/h2-8,18,20H,1H3/b17-10+
InChIKeyPQIWIPXHWKNYKE-LICLKQGHSA-N
MW296.29 g/mol
LogP3.01
Rot. Bonds4

About 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile

4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile (PubChem CID 135643006) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile.

Molecular Properties

Compound Name4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
PubChem CID135643006
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile
SMILESC/C(=N\Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C15H12N4O3/c1-10(12-3-5-13(20)6-4-12)17-18-14-7-2-11(9-16)8-15(14)19(21)22/h2-8,18,20H,1H3/b17-10+
InChIKeyPQIWIPXHWKNYKE-LICLKQGHSA-N
XLogP3.01
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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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Related Compounds

2-{1-[(2-Nitro-phenyl)-hydrazono]-ethyl}-phenol
CID 135537585
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
4-{(1E)-1-[2-(2,4-dinitrophenyl)hydrazinylidene]propyl}phenol
CID 135642212
(1E)-1-(4-hydroxyphenyl)ethanone (4-nitrophenyl)hydrazone
CID 135440580
4-[C-(4-hydroxyphenyl)-N-(2-nitroanilino)carbonimidoyl]phenol
CID 135542525
1-(4-Hydroxyphenyl)ethanone (2,4-dinitrophenyl)hydrazone
CID 135533487
4-[(E)-N-[2,6-dinitro-4-(trifluoromethyl)anilino]-C-methylcarbonimidoyl]phenol
CID 135720020
2-[(Z)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136890962
4-[C-(4-hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol
CID 135958516
4-[2-(2-Hydroxybenzylidene)hydrazino]-5-nitrophthalonitrile
CID 135489025
4-[C-ethyl-N-(2-nitroanilino)carbonimidoyl]phenol
CID 3109099
1-(2-Hydroxyphenyl)ethanone {2-nitrophenyl}hydrazone
CID 135403129

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
The IUPAC name of 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile (CID 135643006) is 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile.
What is the SMILES notation for 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
The canonical SMILES for 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile is C/C(=N\Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
The InChIKey is PQIWIPXHWKNYKE-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-10(12-3-5-13(20)6-4-12)17-18-14-7-2-11(9-16)8-15(14)19(21)22/h2-8,18,20H,1H3/b17-10+.
What are the key properties of 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile?
4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile has a molecular weight of 296.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-nitrobenzonitrile is sourced from PubChem (CID 135643006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).