5-bromo-3-propan-2-yl-2H-indazole

C10H11BrN2 — CID 59222340

IUPAC5-bromo-3-propan-2-yl-2H-indazole
SMILESCC(C)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyMCJCHBZWFJDUJH-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.45
Rot. Bonds1

About 5-bromo-3-propan-2-yl-2H-indazole

5-bromo-3-propan-2-yl-2H-indazole (PubChem CID 59222340) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 5-bromo-3-propan-2-yl-2H-indazole.

Molecular Properties

Compound Name5-bromo-3-propan-2-yl-2H-indazole
PubChem CID59222340
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name5-bromo-3-propan-2-yl-2H-indazole
SMILESCC(C)c1[nH]nc2ccc(Br)cc12
InChIInChI=1S/C10H11BrN2/c1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChIKeyMCJCHBZWFJDUJH-UHFFFAOYSA-N
XLogP3.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-propan-2-yl-2H-indazole?
The IUPAC name of 5-bromo-3-propan-2-yl-2H-indazole (CID 59222340) is 5-bromo-3-propan-2-yl-2H-indazole.
What is the SMILES notation for 5-bromo-3-propan-2-yl-2H-indazole?
The canonical SMILES for 5-bromo-3-propan-2-yl-2H-indazole is CC(C)c1[nH]nc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-propan-2-yl-2H-indazole?
The InChIKey is MCJCHBZWFJDUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h3-6H,1-2H3,(H,12,13).
What are the key properties of 5-bromo-3-propan-2-yl-2H-indazole?
5-bromo-3-propan-2-yl-2H-indazole has a molecular weight of 239.12 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-propan-2-yl-2H-indazole is sourced from PubChem (CID 59222340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).