2-butyl-6-chloroindazole

C11H13ClN2 — CID 125485264

IUPAC2-butyl-6-chloroindazole
SMILESCCCCn1cc2ccc(Cl)cc2n1
InChIInChI=1S/C11H13ClN2/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13-14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyMAKDMPFIUAPHBT-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.49
Rot. Bonds3

About 2-butyl-6-chloroindazole

2-butyl-6-chloroindazole (PubChem CID 125485264) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-butyl-6-chloroindazole.

Molecular Properties

Compound Name2-butyl-6-chloroindazole
PubChem CID125485264
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-butyl-6-chloroindazole
SMILESCCCCn1cc2ccc(Cl)cc2n1
InChIInChI=1S/C11H13ClN2/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13-14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyMAKDMPFIUAPHBT-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-chloroindazole?
The IUPAC name of 2-butyl-6-chloroindazole (CID 125485264) is 2-butyl-6-chloroindazole.
What is the SMILES notation for 2-butyl-6-chloroindazole?
The canonical SMILES for 2-butyl-6-chloroindazole is CCCCn1cc2ccc(Cl)cc2n1.
What is the InChIKey of 2-butyl-6-chloroindazole?
The InChIKey is MAKDMPFIUAPHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13-14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 2-butyl-6-chloroindazole?
2-butyl-6-chloroindazole has a molecular weight of 208.69 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-chloroindazole is sourced from PubChem (CID 125485264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).