2-(3-bromo-2H-indazol-4-yl)ethanol

C9H9BrN2O — CID 117354283

IUPAC2-(3-bromo-2H-indazol-4-yl)ethanol
SMILESOCCc1cccc2n[nH]c(Br)c12
InChIInChI=1S/C9H9BrN2O/c10-9-8-6(4-5-13)2-1-3-7(8)11-12-9/h1-3,13H,4-5H2,(H,11,12)
InChIKeyUOJWBAIXSZWJMF-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.86
Rot. Bonds2

About 2-(3-bromo-2H-indazol-4-yl)ethanol

2-(3-bromo-2H-indazol-4-yl)ethanol (PubChem CID 117354283) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-(3-bromo-2H-indazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2H-indazol-4-yl)ethanol
PubChem CID117354283
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name2-(3-bromo-2H-indazol-4-yl)ethanol
SMILESOCCc1cccc2n[nH]c(Br)c12
InChIInChI=1S/C9H9BrN2O/c10-9-8-6(4-5-13)2-1-3-7(8)11-12-9/h1-3,13H,4-5H2,(H,11,12)
InChIKeyUOJWBAIXSZWJMF-UHFFFAOYSA-N
XLogP1.86
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-2H-indazol-4-yl)acetonitrile
CID 84797968
3-bromo-2H-indazole-4-carbaldehyde
CID 76846328
2-[5-(2-hydroxyethyl)phenanthren-4-yl]ethanol
CID 87369855
2-(4-bromo-2H-indazol-3-yl)ethanamine
CID 76846274
2-(3-fluoro-2H-indazol-4-yl)ethanamine
CID 134477543
2-bromo-3-(2-hydroxyethyl)phenol
CID 141056029
O-[2-(3-chloro-2H-indazol-4-yl)ethyl]hydroxylamine
CID 117302285
2-(3-ethyl-2H-indazol-4-yl)acetic acid
CID 84672219
2-bromo-6-(2-hydroxyethyl)phenol
CID 57283538
4-(2-hydroxyethyl)benzimidazol-2-one
CID 141405432
4-(3-chloro-2H-indazol-4-yl)butan-1-amine
CID 117321071
2-(2-bromo-1,3-benzothiazol-4-yl)ethanol
CID 18984453

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2H-indazol-4-yl)ethanol?
The IUPAC name of 2-(3-bromo-2H-indazol-4-yl)ethanol (CID 117354283) is 2-(3-bromo-2H-indazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2H-indazol-4-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2H-indazol-4-yl)ethanol is OCCc1cccc2n[nH]c(Br)c12.
What is the InChIKey of 2-(3-bromo-2H-indazol-4-yl)ethanol?
The InChIKey is UOJWBAIXSZWJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-9-8-6(4-5-13)2-1-3-7(8)11-12-9/h1-3,13H,4-5H2,(H,11,12).
What are the key properties of 2-(3-bromo-2H-indazol-4-yl)ethanol?
2-(3-bromo-2H-indazol-4-yl)ethanol has a molecular weight of 241.09 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2H-indazol-4-yl)ethanol is sourced from PubChem (CID 117354283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).