5-tert-butyl-3-chloro-2H-indazole

C11H13ClN2 — CID 89476377

IUPAC5-tert-butyl-3-chloro-2H-indazole
SMILESCC(C)(C)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C11H13ClN2/c1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9/h4-6H,1-3H3,(H,13,14)
InChIKeyFYWDHPPMOYTCLE-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.51
Rot. Bonds

About 5-tert-butyl-3-chloro-2H-indazole

5-tert-butyl-3-chloro-2H-indazole (PubChem CID 89476377) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-2H-indazole.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-2H-indazole
PubChem CID89476377
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-tert-butyl-3-chloro-2H-indazole
SMILESCC(C)(C)c1ccc2n[nH]c(Cl)c2c1
InChIInChI=1S/C11H13ClN2/c1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9/h4-6H,1-3H3,(H,13,14)
InChIKeyFYWDHPPMOYTCLE-UHFFFAOYSA-N
XLogP3.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-2H-indazole?
The IUPAC name of 5-tert-butyl-3-chloro-2H-indazole (CID 89476377) is 5-tert-butyl-3-chloro-2H-indazole.
What is the SMILES notation for 5-tert-butyl-3-chloro-2H-indazole?
The canonical SMILES for 5-tert-butyl-3-chloro-2H-indazole is CC(C)(C)c1ccc2n[nH]c(Cl)c2c1.
What is the InChIKey of 5-tert-butyl-3-chloro-2H-indazole?
The InChIKey is FYWDHPPMOYTCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9/h4-6H,1-3H3,(H,13,14).
What are the key properties of 5-tert-butyl-3-chloro-2H-indazole?
5-tert-butyl-3-chloro-2H-indazole has a molecular weight of 208.69 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-2H-indazole is sourced from PubChem (CID 89476377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).