3-bromo-7-chloro-2-propan-2-ylindazole

C10H10BrClN2 — CID 84730201

IUPAC3-bromo-7-chloro-2-propan-2-ylindazole
SMILESCC(C)n1nc2c(Cl)cccc2c1Br
InChIInChI=1S/C10H10BrClN2/c1-6(2)14-10(11)7-4-3-5-8(12)9(7)13-14/h3-6H,1-2H3
InChIKeyHKLVEZIBCIQNGZ-UHFFFAOYSA-N
MW273.56 g/mol
LogP4.03
Rot. Bonds1

About 3-bromo-7-chloro-2-propan-2-ylindazole

3-bromo-7-chloro-2-propan-2-ylindazole (PubChem CID 84730201) has the molecular formula C10H10BrClN2 and a molecular weight of 273.56 g/mol. Its IUPAC name is 3-bromo-7-chloro-2-propan-2-ylindazole.

Molecular Properties

Compound Name3-bromo-7-chloro-2-propan-2-ylindazole
PubChem CID84730201
Molecular FormulaC10H10BrClN2
Molecular Weight273.56 g/mol
Exact Mass271.97
IUPAC Name3-bromo-7-chloro-2-propan-2-ylindazole
SMILESCC(C)n1nc2c(Cl)cccc2c1Br
InChIInChI=1S/C10H10BrClN2/c1-6(2)14-10(11)7-4-3-5-8(12)9(7)13-14/h3-6H,1-2H3
InChIKeyHKLVEZIBCIQNGZ-UHFFFAOYSA-N
XLogP4.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-chloro-2-propan-2-ylindazole?
The IUPAC name of 3-bromo-7-chloro-2-propan-2-ylindazole (CID 84730201) is 3-bromo-7-chloro-2-propan-2-ylindazole.
What is the SMILES notation for 3-bromo-7-chloro-2-propan-2-ylindazole?
The canonical SMILES for 3-bromo-7-chloro-2-propan-2-ylindazole is CC(C)n1nc2c(Cl)cccc2c1Br.
What is the InChIKey of 3-bromo-7-chloro-2-propan-2-ylindazole?
The InChIKey is HKLVEZIBCIQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2/c1-6(2)14-10(11)7-4-3-5-8(12)9(7)13-14/h3-6H,1-2H3.
What are the key properties of 3-bromo-7-chloro-2-propan-2-ylindazole?
3-bromo-7-chloro-2-propan-2-ylindazole has a molecular weight of 273.56 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-chloro-2-propan-2-ylindazole is sourced from PubChem (CID 84730201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).