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

C14H10BrN3O — CID 795026

IUPAC4-bromo-2-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10BrN3O/c15-11-1-4-14(19)10(5-11)7-16-12-2-3-13-9(6-12)8-17-18-13/h1-8,19H,(H,17,18)/b16-7+
InChIKeyYBEANOOHIPUWEE-FRKPEAEDSA-N
MW316.16 g/mol
LogP3.78
Rot. Bonds2

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

4-bromo-2-(1H-indazol-5-yliminomethyl)phenol (PubChem CID 795026) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-(1H-indazol-5-yliminomethyl)phenol
PubChem CID795026
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name4-bromo-2-(1H-indazol-5-yliminomethyl)phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H10BrN3O/c15-11-1-4-14(19)10(5-11)7-16-12-2-3-13-9(6-12)8-17-18-13/h1-8,19H,(H,17,18)/b16-7+
InChIKeyYBEANOOHIPUWEE-FRKPEAEDSA-N
XLogP3.78
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol?
The IUPAC name of 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol (CID 795026) is 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol is Oc1ccc(Br)cc1/C=N/c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol?
The InChIKey is YBEANOOHIPUWEE-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-1-4-14(19)10(5-11)7-16-12-2-3-13-9(6-12)8-17-18-13/h1-8,19H,(H,17,18)/b16-7+.
What are the key properties of 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol?
4-bromo-2-(1H-indazol-5-yliminomethyl)phenol has a molecular weight of 316.16 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1H-indazol-5-yliminomethyl)phenol is sourced from PubChem (CID 795026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).