2-(2-bromophenyl)indazole

C13H9BrN2 — CID 134960554

IUPAC2-(2-bromophenyl)indazole
SMILESBrc1ccccc1-n1cc2ccccc2n1
InChIInChI=1S/C13H9BrN2/c14-11-6-2-4-8-13(11)16-9-10-5-1-3-7-12(10)15-16/h1-9H
InChIKeySNKRLFFIYOKRML-UHFFFAOYSA-N
MW273.13 g/mol
LogP3.79
Rot. Bonds1

About 2-(2-bromophenyl)indazole

2-(2-bromophenyl)indazole (PubChem CID 134960554) has the molecular formula C13H9BrN2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)indazole.

Molecular Properties

Compound Name2-(2-bromophenyl)indazole
PubChem CID134960554
Molecular FormulaC13H9BrN2
Molecular Weight273.13 g/mol
Exact Mass271.99
IUPAC Name2-(2-bromophenyl)indazole
SMILESBrc1ccccc1-n1cc2ccccc2n1
InChIInChI=1S/C13H9BrN2/c14-11-6-2-4-8-13(11)16-9-10-5-1-3-7-12(10)15-16/h1-9H
InChIKeySNKRLFFIYOKRML-UHFFFAOYSA-N
XLogP3.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-1H-indazole
CID 797066
1-Methyl-1H-indazole
CID 139456
1-Phenyl-1H-indazole
CID 304268
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
2H-Indazole, 2-(3-fluorophenyl)-
CID 3067340
4-Bromo-1-methyl-1H-indazole
CID 22558986
4-Bromo-2-methyl-2H-indazole
CID 22559031
4-(3-Bromophenyl)-7-methyl-2-phenylpyrazolo[3,4-d]pyridazine
CID 1214667
4-(3-Bromophenyl)-2-(4-bromophenyl)-7-methylpyrazolo[3,4-d]pyridazine
CID 1214668
4-(3-Bromophenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
CID 1214670
(5-Bromo-indol-1-yl)-methyl-pyridin-4-yl-amine
CID 10542372
(5-Bromo-indol-1-yl)-pyridin-4-yl-amine
CID 10565247

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)indazole?
The IUPAC name of 2-(2-bromophenyl)indazole (CID 134960554) is 2-(2-bromophenyl)indazole.
What is the SMILES notation for 2-(2-bromophenyl)indazole?
The canonical SMILES for 2-(2-bromophenyl)indazole is Brc1ccccc1-n1cc2ccccc2n1.
What is the InChIKey of 2-(2-bromophenyl)indazole?
The InChIKey is SNKRLFFIYOKRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2/c14-11-6-2-4-8-13(11)16-9-10-5-1-3-7-12(10)15-16/h1-9H.
What are the key properties of 2-(2-bromophenyl)indazole?
2-(2-bromophenyl)indazole has a molecular weight of 273.13 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)indazole is sourced from PubChem (CID 134960554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).