3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol

C13H11N3O3 — CID 9077514

IUPAC3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(N/N=C\c2cccc(O)c2)c1
InChIInChI=1S/C13H11N3O3/c17-13-6-1-3-10(7-13)9-14-15-11-4-2-5-12(8-11)16(18)19/h1-9,15,17H/b14-9-
InChIKeyYCYCVZPCGOFUKF-ZROIWOOFSA-N
MW257.25 g/mol
LogP2.75
Rot. Bonds4

About 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol

3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 9077514) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID9077514
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1cccc(N/N=C\c2cccc(O)c2)c1
InChIInChI=1S/C13H11N3O3/c17-13-6-1-3-10(7-13)9-14-15-11-4-2-5-12(8-11)16(18)19/h1-9,15,17H/b14-9-
InChIKeyYCYCVZPCGOFUKF-ZROIWOOFSA-N
XLogP2.75
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

3-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
CID 9076615
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-3-nitroaniline
CID 9077545
2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 5098428
2,6-dibromo-4-[(2E)-2-[(3-nitrophenyl)methylidene]hydrazinyl]phenol
CID 21204190
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
N-[(3-nitrophenyl)methylideneamino]-3-[2-[(3-nitrophenyl)methylidene]hydrazinyl]benzamide
CID 4033932
3-nitro-N-[(4-phenylphenyl)methylideneamino]aniline
CID 5110407
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 9077620
N-[(E)-ethylideneamino]-3-nitroaniline
CID 13200787

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol (CID 9077514) is 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1cccc(N/N=C\c2cccc(O)c2)c1.
What is the InChIKey of 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is YCYCVZPCGOFUKF-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H11N3O3/c17-13-6-1-3-10(7-13)9-14-15-11-4-2-5-12(8-11)16(18)19/h1-9,15,17H/b14-9-.
What are the key properties of 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 257.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 9077514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).