2-[(2-amino-5-nitrophenyl)iminomethyl]phenol

C13H11N3O3 — CID 136877308

IUPAC2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
SMILESNc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1O
InChIInChI=1S/C13H11N3O3/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17/h1-8,17H,14H2/b15-8+
InChIKeyVYDNPVFDJPRCNT-OVCLIPMQSA-N
MW257.25 g/mol
LogP2.63
Rot. Bonds3

About 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol

2-[(2-amino-5-nitrophenyl)iminomethyl]phenol (PubChem CID 136877308) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
PubChem CID136877308
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-[(2-amino-5-nitrophenyl)iminomethyl]phenol
SMILESNc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1O
InChIInChI=1S/C13H11N3O3/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17/h1-8,17H,14H2/b15-8+
InChIKeyVYDNPVFDJPRCNT-OVCLIPMQSA-N
XLogP2.63
TPSA101.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-[(2-chloro-5-nitrophenyl)iminomethyl]phenol
CID 3614500
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
2,4-ditert-butyl-6-[[2-[(2-hydroxyphenyl)methylideneamino]-4-nitrophenyl]iminomethyl]phenol
CID 139203413
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]-4-nitrophenol
CID 177498703
2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol;vanadium;hydrate
CID 171376264
chromium;bis(2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol);hydrate
CID 139236258
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
4-nitro-2-[(4-nitrophenyl)methylideneamino]phenol
CID 4006870
2-[(2-anilino-5-nitrophenyl)iminomethyl]-4-bromophenol
CID 135764877
2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol (CID 136877308) is 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol is Nc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is VYDNPVFDJPRCNT-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-11-6-5-10(16(18)19)7-12(11)15-8-9-3-1-2-4-13(9)17/h1-8,17H,14H2/b15-8+.
What are the key properties of 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol?
2-[(2-amino-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 257.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 136877308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).