2-(5-amino-7-bromoindazol-2-yl)ethanol

C9H10BrN3O — CID 178065503

IUPAC2-(5-amino-7-bromoindazol-2-yl)ethanol
SMILESNc1cc(Br)c2nn(CCO)cc2c1
InChIInChI=1S/C9H10BrN3O/c10-8-4-7(11)3-6-5-13(1-2-14)12-9(6)8/h3-5,14H,1-2,11H2
InChIKeyUNDZOTXJVADVGZ-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.37
Rot. Bonds2

About 2-(5-amino-7-bromoindazol-2-yl)ethanol

2-(5-amino-7-bromoindazol-2-yl)ethanol (PubChem CID 178065503) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-(5-amino-7-bromoindazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-amino-7-bromoindazol-2-yl)ethanol
PubChem CID178065503
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name2-(5-amino-7-bromoindazol-2-yl)ethanol
SMILESNc1cc(Br)c2nn(CCO)cc2c1
InChIInChI=1S/C9H10BrN3O/c10-8-4-7(11)3-6-5-13(1-2-14)12-9(6)8/h3-5,14H,1-2,11H2
InChIKeyUNDZOTXJVADVGZ-UHFFFAOYSA-N
XLogP1.37
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-7-bromoindazol-2-yl)ethanol?
The IUPAC name of 2-(5-amino-7-bromoindazol-2-yl)ethanol (CID 178065503) is 2-(5-amino-7-bromoindazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-amino-7-bromoindazol-2-yl)ethanol?
The canonical SMILES for 2-(5-amino-7-bromoindazol-2-yl)ethanol is Nc1cc(Br)c2nn(CCO)cc2c1.
What is the InChIKey of 2-(5-amino-7-bromoindazol-2-yl)ethanol?
The InChIKey is UNDZOTXJVADVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c10-8-4-7(11)3-6-5-13(1-2-14)12-9(6)8/h3-5,14H,1-2,11H2.
What are the key properties of 2-(5-amino-7-bromoindazol-2-yl)ethanol?
2-(5-amino-7-bromoindazol-2-yl)ethanol has a molecular weight of 256.10 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-7-bromoindazol-2-yl)ethanol is sourced from PubChem (CID 178065503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).