3,4-dichloro-2-ethylindazole

C9H8Cl2N2 — CID 84723697

IUPAC3,4-dichloro-2-ethylindazole
SMILESCCn1nc2cccc(Cl)c2c1Cl
InChIInChI=1S/C9H8Cl2N2/c1-2-13-9(11)8-6(10)4-3-5-7(8)12-13/h3-5H,2H2,1H3
InChIKeyJSQHYGHMNOXWEO-UHFFFAOYSA-N
MW215.08 g/mol
LogP3.36
Rot. Bonds1

About 3,4-dichloro-2-ethylindazole

3,4-dichloro-2-ethylindazole (PubChem CID 84723697) has the molecular formula C9H8Cl2N2 and a molecular weight of 215.08 g/mol. Its IUPAC name is 3,4-dichloro-2-ethylindazole.

Molecular Properties

Compound Name3,4-dichloro-2-ethylindazole
PubChem CID84723697
Molecular FormulaC9H8Cl2N2
Molecular Weight215.08 g/mol
Exact Mass214.01
IUPAC Name3,4-dichloro-2-ethylindazole
SMILESCCn1nc2cccc(Cl)c2c1Cl
InChIInChI=1S/C9H8Cl2N2/c1-2-13-9(11)8-6(10)4-3-5-7(8)12-13/h3-5H,2H2,1H3
InChIKeyJSQHYGHMNOXWEO-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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Related Compounds

1-(4-chloro-2-ethylindazol-3-yl)-N-methylmethanamine
CID 84725341
2-(3,4-dichloroindazol-2-yl)ethanamine
CID 84726220
3-chloro-2-ethylindazol-5-ol
CID 84720798
3,5-dichloro-2-ethylindazole
CID 84723698
2-(2-ethyl-3-methylindazol-4-yl)ethanamine
CID 84721665
2-ethyl-3-methylindazole-4-carboxylic acid
CID 84721848
2-(4-bromo-3-chloroindazol-2-yl)ethanamine
CID 84730235
3-chloro-2,4-dimethylindazole
CID 84718438
2-ethyl-4-fluoroindazole-3-carbonitrile
CID 84719232
3-chloro-2-ethylindazol-5-amine
CID 84720626
3-chloro-2-ethyl-5-fluoroindazole
CID 84721028
4,5-dichloro-2-ethylquinazoline
CID 114590314

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2-ethylindazole?
The IUPAC name of 3,4-dichloro-2-ethylindazole (CID 84723697) is 3,4-dichloro-2-ethylindazole.
What is the SMILES notation for 3,4-dichloro-2-ethylindazole?
The canonical SMILES for 3,4-dichloro-2-ethylindazole is CCn1nc2cccc(Cl)c2c1Cl.
What is the InChIKey of 3,4-dichloro-2-ethylindazole?
The InChIKey is JSQHYGHMNOXWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N2/c1-2-13-9(11)8-6(10)4-3-5-7(8)12-13/h3-5H,2H2,1H3.
What are the key properties of 3,4-dichloro-2-ethylindazole?
3,4-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 3,4-dichloro-2-ethylindazole is sourced from PubChem (CID 84723697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).