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

C16H14BrN3O2 — CID 4714108

IUPAC4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol
SMILESCCOc1cc(Br)cc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C16H14BrN3O2/c1-2-22-15-7-12(17)5-11(16(15)21)8-18-13-3-4-14-10(6-13)9-19-20-14/h3-9,21H,2H2,1H3,(H,19,20)/b18-8+
InChIKeyKAPNXTQZYQABKO-QGMBQPNBSA-N
MW360.21 g/mol
LogP4.18
Rot. Bonds4

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

4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 4714108) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol
PubChem CID4714108
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol
SMILESCCOc1cc(Br)cc(/C=N/c2ccc3[nH]ncc3c2)c1O
InChIInChI=1S/C16H14BrN3O2/c1-2-22-15-7-12(17)5-11(16(15)21)8-18-13-3-4-14-10(6-13)9-19-20-14/h3-9,21H,2H2,1H3,(H,19,20)/b18-8+
InChIKeyKAPNXTQZYQABKO-QGMBQPNBSA-N
XLogP4.18
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-2-[(1H-indazol-5-ylimino)-methyl]-phenol
CID 795026
2-[(E)-(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795038
2-ethoxy-6-[(1H-indazol-5-ylimino)methyl]phenol
CID 795030
4-bromo-2-[(E)-(1H-indazol-5-ylimino)methyl]-6-methoxyphenol
CID 795041
4-bromo-2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfanyl]phenyl]iminomethyl]-6-ethoxyphenol
CID 1079548
2-bromo-4-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
CID 43690854
2-ethoxy-6-[(1H-indazol-5-ylamino)methyl]phenol
CID 43690951
2-[(1H-indazol-5-ylamino)methyl]-6-methoxyphenol
CID 43690954
2-bromo-4-[(1H-indazol-4-ylamino)methyl]-6-methoxyphenol
CID 60931874
4-bromo-2-methoxy-6-(1H-pyrazol-5-yl)phenol
CID 136327332

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol (CID 4714108) is 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol is CCOc1cc(Br)cc(/C=N/c2ccc3[nH]ncc3c2)c1O.
What is the InChIKey of 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is KAPNXTQZYQABKO-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-2-22-15-7-12(17)5-11(16(15)21)8-18-13-3-4-14-10(6-13)9-19-20-14/h3-9,21H,2H2,1H3,(H,19,20)/b18-8+.
What are the key properties of 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol?
4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 360.21 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethoxy-6-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 4714108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).