3-chloro-2-ethylindazol-5-ol

C9H9ClN2O — CID 84720798

IUPAC3-chloro-2-ethylindazol-5-ol
SMILESCCn1nc2ccc(O)cc2c1Cl
InChIInChI=1S/C9H9ClN2O/c1-2-12-9(10)7-5-6(13)3-4-8(7)11-12/h3-5,13H,2H2,1H3
InChIKeyJKXRGHGACLZULP-UHFFFAOYSA-N
MW196.64 g/mol
LogP2.42
Rot. Bonds1

About 3-chloro-2-ethylindazol-5-ol

3-chloro-2-ethylindazol-5-ol (PubChem CID 84720798) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 3-chloro-2-ethylindazol-5-ol.

Molecular Properties

Compound Name3-chloro-2-ethylindazol-5-ol
PubChem CID84720798
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name3-chloro-2-ethylindazol-5-ol
SMILESCCn1nc2ccc(O)cc2c1Cl
InChIInChI=1S/C9H9ClN2O/c1-2-12-9(10)7-5-6(13)3-4-8(7)11-12/h3-5,13H,2H2,1H3
InChIKeyJKXRGHGACLZULP-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethylindazol-5-ol?
The IUPAC name of 3-chloro-2-ethylindazol-5-ol (CID 84720798) is 3-chloro-2-ethylindazol-5-ol.
What is the SMILES notation for 3-chloro-2-ethylindazol-5-ol?
The canonical SMILES for 3-chloro-2-ethylindazol-5-ol is CCn1nc2ccc(O)cc2c1Cl.
What is the InChIKey of 3-chloro-2-ethylindazol-5-ol?
The InChIKey is JKXRGHGACLZULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c1-2-12-9(10)7-5-6(13)3-4-8(7)11-12/h3-5,13H,2H2,1H3.
What are the key properties of 3-chloro-2-ethylindazol-5-ol?
3-chloro-2-ethylindazol-5-ol has a molecular weight of 196.64 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethylindazol-5-ol is sourced from PubChem (CID 84720798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).