6-bromo-1-cyclopropyl-3-methylindazole

C11H11BrN2 — CID 176566631

IUPAC6-bromo-1-cyclopropyl-3-methylindazole
SMILESCc1nn(C2CC2)c2cc(Br)ccc12
InChIInChI=1S/C11H11BrN2/c1-7-10-5-2-8(12)6-11(10)14(13-7)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyVUUKNMMGXVSKKK-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.44
Rot. Bonds1

About 6-bromo-1-cyclopropyl-3-methylindazole

6-bromo-1-cyclopropyl-3-methylindazole (PubChem CID 176566631) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 6-bromo-1-cyclopropyl-3-methylindazole.

Molecular Properties

Compound Name6-bromo-1-cyclopropyl-3-methylindazole
PubChem CID176566631
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name6-bromo-1-cyclopropyl-3-methylindazole
SMILESCc1nn(C2CC2)c2cc(Br)ccc12
InChIInChI=1S/C11H11BrN2/c1-7-10-5-2-8(12)6-11(10)14(13-7)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyVUUKNMMGXVSKKK-UHFFFAOYSA-N
XLogP3.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-cyclopropyl-3-methylindazole?
The IUPAC name of 6-bromo-1-cyclopropyl-3-methylindazole (CID 176566631) is 6-bromo-1-cyclopropyl-3-methylindazole.
What is the SMILES notation for 6-bromo-1-cyclopropyl-3-methylindazole?
The canonical SMILES for 6-bromo-1-cyclopropyl-3-methylindazole is Cc1nn(C2CC2)c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-1-cyclopropyl-3-methylindazole?
The InChIKey is VUUKNMMGXVSKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-10-5-2-8(12)6-11(10)14(13-7)9-3-4-9/h2,5-6,9H,3-4H2,1H3.
What are the key properties of 6-bromo-1-cyclopropyl-3-methylindazole?
6-bromo-1-cyclopropyl-3-methylindazole has a molecular weight of 251.13 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-cyclopropyl-3-methylindazole is sourced from PubChem (CID 176566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).