3,5-dichloro-2-ethylindazole

C9H8Cl2N2 — CID 84723698

IUPAC3,5-dichloro-2-ethylindazole
SMILESCCn1nc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C9H8Cl2N2/c1-2-13-9(11)7-5-6(10)3-4-8(7)12-13/h3-5H,2H2,1H3
InChIKeyNHGQUXDRXCHGNZ-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.36
Rot. Bonds1

About 3,5-dichloro-2-ethylindazole

3,5-dichloro-2-ethylindazole (PubChem CID 84723698) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 3,5-dichloro-2-ethylindazole.

Molecular Properties

Compound Name3,5-dichloro-2-ethylindazole
PubChem CID84723698
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name3,5-dichloro-2-ethylindazole
SMILESCCn1nc2ccc(Cl)cc2c1Cl
InChIInChI=1S/C9H8Cl2N2/c1-2-13-9(11)7-5-6(10)3-4-8(7)12-13/h3-5H,2H2,1H3
InChIKeyNHGQUXDRXCHGNZ-UHFFFAOYSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-ethylindazole?
The IUPAC name of 3,5-dichloro-2-ethylindazole (CID 84723698) is 3,5-dichloro-2-ethylindazole.
What is the SMILES notation for 3,5-dichloro-2-ethylindazole?
The canonical SMILES for 3,5-dichloro-2-ethylindazole is CCn1nc2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-2-ethylindazole?
The InChIKey is NHGQUXDRXCHGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c1-2-13-9(11)7-5-6(10)3-4-8(7)12-13/h3-5H,2H2,1H3.
What are the key properties of 3,5-dichloro-2-ethylindazole?
3,5-dichloro-2-ethylindazole has a molecular weight of 215.08 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-ethylindazole is sourced from PubChem (CID 84723698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).