4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol

C13H10N2O4 — CID 155522106

IUPAC4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1/N=C/c1ccccc1O
InChIInChI=1S/C13H10N2O4/c16-10-5-6-11(12(7-10)15(18)19)14-8-9-3-1-2-4-13(9)17/h1-8,16-17H/b14-8+
InChIKeyFNTRPXBHQNQMSW-RIYZIHGNSA-N
MW258.23 g/mol
LogP2.76
Rot. Bonds3

About 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol

4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol (PubChem CID 155522106) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol.

Molecular Properties

Compound Name4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol
PubChem CID155522106
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol
SMILESO=[N+]([O-])c1cc(O)ccc1/N=C/c1ccccc1O
InChIInChI=1S/C13H10N2O4/c16-10-5-6-11(12(7-10)15(18)19)14-8-9-3-1-2-4-13(9)17/h1-8,16-17H/b14-8+
InChIKeyFNTRPXBHQNQMSW-RIYZIHGNSA-N
XLogP2.76
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.76
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

Phenol, p-((m-nitrobenzylidene)amino)-
CID 94756
Alpha-(3-nitrophenylimino)-ortho-cresol
CID 292413
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
Benzaldehyde, 2-hydroxy-5-nitro-, oxime
CID 86261909
Phenol, 2-[[(2-methylphenyl)imino]methyl]-4-nitro-
CID 765699
2-[[(3-Nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274053
3-[(2-Hydroxybenzyl)amino]phenol
CID 219804
(6E)-6-(anilinomethylidene)-4-nitrocyclohexa-2,4-dien-1-one
CID 271526
2-[(3-Ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335186
4-[(4-Nitrobenzylidene)amino]phenol
CID 219808
2-{[(4-Nitrophenyl)imino]methyl}phenol
CID 264934
Phenol, 2-(3-hydroxyphenyliminomethyl)-4-nitro-
CID 620951

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol?
The IUPAC name of 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol (CID 155522106) is 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol.
What is the SMILES notation for 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol?
The canonical SMILES for 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol is O=[N+]([O-])c1cc(O)ccc1/N=C/c1ccccc1O.
What is the InChIKey of 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol?
The InChIKey is FNTRPXBHQNQMSW-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-10-5-6-11(12(7-10)15(18)19)14-8-9-3-1-2-4-13(9)17/h1-8,16-17H/b14-8+.
What are the key properties of 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol?
4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol has a molecular weight of 258.23 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyphenyl)methylideneamino]-3-nitrophenol is sourced from PubChem (CID 155522106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).