4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol

C15H12BrN3O2 — CID 795041

IUPAC4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H12BrN3O2/c1-21-14-6-11(16)4-10(15(14)20)7-17-12-2-3-13-9(5-12)8-18-19-13/h2-8,20H,1H3,(H,18,19)/b17-7+
InChIKeyPSFXHLDRANYNDR-REZTVBANSA-N
MW346.18 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol

4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol (PubChem CID 795041) has the molecular formula C15H12BrN3O2 and a molecular weight of 346.18 g/mol. Its IUPAC name is 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
PubChem CID795041
Molecular FormulaC15H12BrN3O2
Molecular Weight346.18 g/mol
Exact Mass345.01
IUPAC Name4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C15H12BrN3O2/c1-21-14-6-11(16)4-10(15(14)20)7-17-12-2-3-13-9(5-12)8-18-19-13/h2-8,20H,1H3,(H,18,19)/b17-7+
InChIKeyPSFXHLDRANYNDR-REZTVBANSA-N
XLogP3.79
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Bromo-2-[(1H-indazol-5-ylimino)-methyl]-phenol
CID 795026
2,4-dibromo-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 1087466
4-(1H-indazol-6-yl)-2-methoxyphenol
CID 142654165
2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol
CID 795038
2-ethoxy-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 795030
4-chloro-2-[(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795043
2-bromo-4-[(1H-indazol-6-ylamino)methyl]-6-methoxyphenol
CID 2846352
2-(1H-indazol-5-yliminomethyl)-6-methoxy-4-nitrosophenol
CID 138517634
4-bromo-2-ethoxy-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 4714108
N-[(5-bromo-2-methoxyphenyl)methyl]-1H-indazol-5-amine
CID 23931408
2-bromo-4-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
CID 43690854
2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
CID 43690954

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
The IUPAC name of 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol (CID 795041) is 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
The InChIKey is PSFXHLDRANYNDR-REZTVBANSA-N. The full InChI is InChI=1S/C15H12BrN3O2/c1-21-14-6-11(16)4-10(15(14)20)7-17-12-2-3-13-9(5-12)8-18-19-13/h2-8,20H,1H3,(H,18,19)/b17-7+.
What are the key properties of 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol?
4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol has a molecular weight of 346.18 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1H-indazol-5-yliminomethyl)-6-methoxyphenol is sourced from PubChem (CID 795041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).