1-bromo-5-cyclopropylindazole

C10H9BrN2 — CID 135156225

IUPAC1-bromo-5-cyclopropylindazole
SMILESBrn1ncc2cc(C3CC3)ccc21
InChIInChI=1S/C10H9BrN2/c11-13-10-4-3-8(7-1-2-7)5-9(10)6-12-13/h3-7H,1-2H2
InChIKeyUUWDQJWUIAGVSF-UHFFFAOYSA-N
MW237.10 g/mol
LogP3.07
Rot. Bonds1

About 1-bromo-5-cyclopropylindazole

1-bromo-5-cyclopropylindazole (PubChem CID 135156225) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 1-bromo-5-cyclopropylindazole.

Molecular Properties

Compound Name1-bromo-5-cyclopropylindazole
PubChem CID135156225
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name1-bromo-5-cyclopropylindazole
SMILESBrn1ncc2cc(C3CC3)ccc21
InChIInChI=1S/C10H9BrN2/c11-13-10-4-3-8(7-1-2-7)5-9(10)6-12-13/h3-7H,1-2H2
InChIKeyUUWDQJWUIAGVSF-UHFFFAOYSA-N
XLogP3.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-cyclopropylindazole?
The IUPAC name of 1-bromo-5-cyclopropylindazole (CID 135156225) is 1-bromo-5-cyclopropylindazole.
What is the SMILES notation for 1-bromo-5-cyclopropylindazole?
The canonical SMILES for 1-bromo-5-cyclopropylindazole is Brn1ncc2cc(C3CC3)ccc21.
What is the InChIKey of 1-bromo-5-cyclopropylindazole?
The InChIKey is UUWDQJWUIAGVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c11-13-10-4-3-8(7-1-2-7)5-9(10)6-12-13/h3-7H,1-2H2.
What are the key properties of 1-bromo-5-cyclopropylindazole?
1-bromo-5-cyclopropylindazole has a molecular weight of 237.10 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-cyclopropylindazole is sourced from PubChem (CID 135156225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).