5-bromo-1-propan-2-ylindazole

C10H11BrN2 — CID 53216940

IUPAC5-bromo-1-propan-2-ylindazole
SMILESCC(C)n1ncc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2/c1-7(2)13-10-4-3-9(11)5-8(10)6-12-13/h3-7H,1-2H3
InChIKeyZHTBELQDIVCDNM-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.38
Rot. Bonds1

About 5-bromo-1-propan-2-ylindazole

5-bromo-1-propan-2-ylindazole (PubChem CID 53216940) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-1-propan-2-ylindazole.

Molecular Properties

Compound Name5-bromo-1-propan-2-ylindazole
PubChem CID53216940
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-1-propan-2-ylindazole
SMILESCC(C)n1ncc2cc(Br)ccc21
InChIInChI=1S/C10H11BrN2/c1-7(2)13-10-4-3-9(11)5-8(10)6-12-13/h3-7H,1-2H3
InChIKeyZHTBELQDIVCDNM-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-ylindazole?
The IUPAC name of 5-bromo-1-propan-2-ylindazole (CID 53216940) is 5-bromo-1-propan-2-ylindazole.
What is the SMILES notation for 5-bromo-1-propan-2-ylindazole?
The canonical SMILES for 5-bromo-1-propan-2-ylindazole is CC(C)n1ncc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-propan-2-ylindazole?
The InChIKey is ZHTBELQDIVCDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-7(2)13-10-4-3-9(11)5-8(10)6-12-13/h3-7H,1-2H3.
What are the key properties of 5-bromo-1-propan-2-ylindazole?
5-bromo-1-propan-2-ylindazole has a molecular weight of 239.12 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-ylindazole is sourced from PubChem (CID 53216940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).