3-(4-bromophenyl)-5-chloro-1H-indazole

C13H8BrClN2 — CID 125488649

IUPAC3-(4-bromophenyl)-5-chloro-1H-indazole
SMILESClc1ccc2[nH]nc(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C13H8BrClN2/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16-17-13/h1-7H,(H,16,17)
InChIKeyLPFNMTURLVKRPU-UHFFFAOYSA-N
MW307.58 g/mol
LogP4.65
Rot. Bonds1

About 3-(4-bromophenyl)-5-chloro-1H-indazole

3-(4-bromophenyl)-5-chloro-1H-indazole (PubChem CID 125488649) has the molecular formula C13H8BrClN2 and a molecular weight of 307.58 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-chloro-1H-indazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-chloro-1H-indazole
PubChem CID125488649
Molecular FormulaC13H8BrClN2
Molecular Weight307.58 g/mol
Exact Mass305.96
IUPAC Name3-(4-bromophenyl)-5-chloro-1H-indazole
SMILESClc1ccc2[nH]nc(-c3ccc(Br)cc3)c2c1
InChIInChI=1S/C13H8BrClN2/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16-17-13/h1-7H,(H,16,17)
InChIKeyLPFNMTURLVKRPU-UHFFFAOYSA-N
XLogP4.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-3-phenyl-1H-indazole
CID 623415
3,5-Dichloro-1H-indazole
CID 268460
4-Bromo-3-chloro-2H-indazole
CID 24729254
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
CID 168941548
5-Chloro-3-phenyl-1H-indazole
CID 615118
(5-chloro-1H-indazol-3-yl)methanamine
CID 14062707
6-bromo-3-methyl-1H-indazole
CID 21336465
5-chloro-3-iodo-1H-indazole
CID 22352410
3-bromo-5-chloro-1H-indazole
CID 24728199
5-Bromo-3-chloro-1H-indazole
CID 24728237
6-Bromo-3-chloro-1H-indazole
CID 24728895
5-Chloro-1H-indazole-3-carbonitrile
CID 44558595

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-chloro-1H-indazole?
The IUPAC name of 3-(4-bromophenyl)-5-chloro-1H-indazole (CID 125488649) is 3-(4-bromophenyl)-5-chloro-1H-indazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-chloro-1H-indazole?
The canonical SMILES for 3-(4-bromophenyl)-5-chloro-1H-indazole is Clc1ccc2[nH]nc(-c3ccc(Br)cc3)c2c1.
What is the InChIKey of 3-(4-bromophenyl)-5-chloro-1H-indazole?
The InChIKey is LPFNMTURLVKRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2/c14-9-3-1-8(2-4-9)13-11-7-10(15)5-6-12(11)16-17-13/h1-7H,(H,16,17).
What are the key properties of 3-(4-bromophenyl)-5-chloro-1H-indazole?
3-(4-bromophenyl)-5-chloro-1H-indazole has a molecular weight of 307.58 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-chloro-1H-indazole is sourced from PubChem (CID 125488649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).