1-benzyl-6-bromoindazole

C14H11BrN2 — CID 67445952

IUPAC1-benzyl-6-bromoindazole
SMILESBrc1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C14H11BrN2/c15-13-7-6-12-9-16-17(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKVQRSOCDPMASRB-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.85
Rot. Bonds2

About 1-benzyl-6-bromoindazole

1-benzyl-6-bromoindazole (PubChem CID 67445952) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-benzyl-6-bromoindazole.

Molecular Properties

Compound Name1-benzyl-6-bromoindazole
PubChem CID67445952
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name1-benzyl-6-bromoindazole
SMILESBrc1ccc2cnn(Cc3ccccc3)c2c1
InChIInChI=1S/C14H11BrN2/c15-13-7-6-12-9-16-17(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyKVQRSOCDPMASRB-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromoindazole?
The IUPAC name of 1-benzyl-6-bromoindazole (CID 67445952) is 1-benzyl-6-bromoindazole.
What is the SMILES notation for 1-benzyl-6-bromoindazole?
The canonical SMILES for 1-benzyl-6-bromoindazole is Brc1ccc2cnn(Cc3ccccc3)c2c1.
What is the InChIKey of 1-benzyl-6-bromoindazole?
The InChIKey is KVQRSOCDPMASRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-13-7-6-12-9-16-17(14(12)8-13)10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 1-benzyl-6-bromoindazole?
1-benzyl-6-bromoindazole has a molecular weight of 287.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-bromoindazole is sourced from PubChem (CID 67445952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).