6-chloro-2-ethylindazole

C9H9ClN2 — CID 10856090

IUPAC6-chloro-2-ethylindazole
SMILESCCn1cc2ccc(Cl)cc2n1
InChIInChI=1S/C9H9ClN2/c1-2-12-6-7-3-4-8(10)5-9(7)11-12/h3-6H,2H2,1H3
InChIKeyKOWFNTNCZVZWIR-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.71
Rot. Bonds1

About 6-chloro-2-ethylindazole

6-chloro-2-ethylindazole (PubChem CID 10856090) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 6-chloro-2-ethylindazole.

Molecular Properties

Compound Name6-chloro-2-ethylindazole
PubChem CID10856090
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name6-chloro-2-ethylindazole
SMILESCCn1cc2ccc(Cl)cc2n1
InChIInChI=1S/C9H9ClN2/c1-2-12-6-7-3-4-8(10)5-9(7)11-12/h3-6H,2H2,1H3
InChIKeyKOWFNTNCZVZWIR-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylindazole?
The IUPAC name of 6-chloro-2-ethylindazole (CID 10856090) is 6-chloro-2-ethylindazole.
What is the SMILES notation for 6-chloro-2-ethylindazole?
The canonical SMILES for 6-chloro-2-ethylindazole is CCn1cc2ccc(Cl)cc2n1.
What is the InChIKey of 6-chloro-2-ethylindazole?
The InChIKey is KOWFNTNCZVZWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-2-12-6-7-3-4-8(10)5-9(7)11-12/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-2-ethylindazole?
6-chloro-2-ethylindazole has a molecular weight of 180.64 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylindazole is sourced from PubChem (CID 10856090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).