2-(5-chloro-2H-indazol-3-yl)ethanol

C9H9ClN2O — CID 21459919

IUPAC2-(5-chloro-2H-indazol-3-yl)ethanol
SMILESOCCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C9H9ClN2O/c10-6-1-2-8-7(5-6)9(3-4-13)12-11-8/h1-2,5,13H,3-4H2,(H,11,12)
InChIKeyIEGPSDWKVPSUIS-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.75
Rot. Bonds2

About 2-(5-chloro-2H-indazol-3-yl)ethanol

2-(5-chloro-2H-indazol-3-yl)ethanol (PubChem CID 21459919) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(5-chloro-2H-indazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-2H-indazol-3-yl)ethanol
PubChem CID21459919
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name2-(5-chloro-2H-indazol-3-yl)ethanol
SMILESOCCc1[nH]nc2ccc(Cl)cc12
InChIInChI=1S/C9H9ClN2O/c10-6-1-2-8-7(5-6)9(3-4-13)12-11-8/h1-2,5,13H,3-4H2,(H,11,12)
InChIKeyIEGPSDWKVPSUIS-UHFFFAOYSA-N
XLogP1.75
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2H-indazol-3-yl)ethanol?
The IUPAC name of 2-(5-chloro-2H-indazol-3-yl)ethanol (CID 21459919) is 2-(5-chloro-2H-indazol-3-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-2H-indazol-3-yl)ethanol?
The canonical SMILES for 2-(5-chloro-2H-indazol-3-yl)ethanol is OCCc1[nH]nc2ccc(Cl)cc12.
What is the InChIKey of 2-(5-chloro-2H-indazol-3-yl)ethanol?
The InChIKey is IEGPSDWKVPSUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-6-1-2-8-7(5-6)9(3-4-13)12-11-8/h1-2,5,13H,3-4H2,(H,11,12).
What are the key properties of 2-(5-chloro-2H-indazol-3-yl)ethanol?
2-(5-chloro-2H-indazol-3-yl)ethanol has a molecular weight of 196.64 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2H-indazol-3-yl)ethanol is sourced from PubChem (CID 21459919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).