4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol

C13H12N2O3 — CID 172914397

IUPAC4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
SMILESNc1ccccc1/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C13H12N2O3/c14-9-3-1-2-4-10(9)15-7-8-5-6-11(16)13(18)12(8)17/h1-7,16-18H,14H2/b15-7+
InChIKeyVDOHBZQWBZCXBW-VIZOYTHASA-N
MW244.25 g/mol
LogP2.14
Rot. Bonds2

About 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol

4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol (PubChem CID 172914397) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol.

Molecular Properties

Compound Name4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
PubChem CID172914397
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
SMILESNc1ccccc1/N=C/c1ccc(O)c(O)c1O
InChIInChI=1S/C13H12N2O3/c14-9-3-1-2-4-10(9)15-7-8-5-6-11(16)13(18)12(8)17/h1-7,16-18H,14H2/b15-7+
InChIKeyVDOHBZQWBZCXBW-VIZOYTHASA-N
XLogP2.14
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-nitrosophenyl)methylideneamino]aniline
CID 59799408
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,2,3-triol
CID 136719331
3-[[2-[2-[(2,3-dihydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]benzene-1,2-diol
CID 1105722
4-[[(2,3,4-trihydroxyphenyl)methylidenehydrazinylidene]methyl]benzene-1,2,3-triol
CID 171138438
N-(2-aminophenyl)methanimidoyl iodide
CID 88582390
3-[(2-amino-4,5-dimethylphenyl)iminomethyl]benzene-1,2-diol
CID 136863722
2-[(2,3-dihydroxyphenyl)methylideneamino]benzonitrile
CID 717751
6-[(2-aminophenyl)iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 135592993
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
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
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569

Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol?
The IUPAC name of 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol (CID 172914397) is 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol.
What is the SMILES notation for 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol?
The canonical SMILES for 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol is Nc1ccccc1/N=C/c1ccc(O)c(O)c1O.
What is the InChIKey of 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol?
The InChIKey is VDOHBZQWBZCXBW-VIZOYTHASA-N. The full InChI is InChI=1S/C13H12N2O3/c14-9-3-1-2-4-10(9)15-7-8-5-6-11(16)13(18)12(8)17/h1-7,16-18H,14H2/b15-7+.
What are the key properties of 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol?
4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol has a molecular weight of 244.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol is sourced from PubChem (CID 172914397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).