6-bromo-4-propyl-1H-indazole

C10H11BrN2 — CID 118396502

IUPAC6-bromo-4-propyl-1H-indazole
SMILESCCCc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C10H11BrN2/c1-2-3-7-4-8(11)5-10-9(7)6-12-13-10/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyWBQSNIREHQYCNT-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.28
Rot. Bonds2

About 6-bromo-4-propyl-1H-indazole

6-bromo-4-propyl-1H-indazole (PubChem CID 118396502) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 6-bromo-4-propyl-1H-indazole.

Molecular Properties

Compound Name6-bromo-4-propyl-1H-indazole
PubChem CID118396502
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name6-bromo-4-propyl-1H-indazole
SMILESCCCc1cc(Br)cc2[nH]ncc12
InChIInChI=1S/C10H11BrN2/c1-2-3-7-4-8(11)5-10-9(7)6-12-13-10/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyWBQSNIREHQYCNT-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-propyl-1H-indazole?
The IUPAC name of 6-bromo-4-propyl-1H-indazole (CID 118396502) is 6-bromo-4-propyl-1H-indazole.
What is the SMILES notation for 6-bromo-4-propyl-1H-indazole?
The canonical SMILES for 6-bromo-4-propyl-1H-indazole is CCCc1cc(Br)cc2[nH]ncc12.
What is the InChIKey of 6-bromo-4-propyl-1H-indazole?
The InChIKey is WBQSNIREHQYCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-2-3-7-4-8(11)5-10-9(7)6-12-13-10/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-bromo-4-propyl-1H-indazole?
6-bromo-4-propyl-1H-indazole has a molecular weight of 239.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-propyl-1H-indazole is sourced from PubChem (CID 118396502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).