3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole

C30H19BrCl2N4 — CID 157241309

IUPAC3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3ccc(-c4cccc5ccccc45)cc3)c2c1.Clc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C23H15ClN2.C7H4BrClN2/c24-18-12-13-22-21(14-18)23(26-25-22)17-10-8-16(9-11-17)20-7-3-5-15-4-1-2-6-19(15)20;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-14H,(H,25,26);1-3H,(H,10,11)
InChIKeyAVGBKWRMSRDHQD-UHFFFAOYSA-N
MW586.32 g/mol
LogP9.68
Rot. Bonds2

About 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole

3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole (PubChem CID 157241309) has the molecular formula C30H19BrCl2N4 and a molecular weight of 586.32 g/mol. Its IUPAC name is 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
PubChem CID157241309
Molecular FormulaC30H19BrCl2N4
Molecular Weight586.32 g/mol
Exact Mass584.02
IUPAC Name3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3ccc(-c4cccc5ccccc45)cc3)c2c1.Clc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C23H15ClN2.C7H4BrClN2/c24-18-12-13-22-21(14-18)23(26-25-22)17-10-8-16(9-11-17)20-7-3-5-15-4-1-2-6-19(15)20;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-14H,(H,25,26);1-3H,(H,10,11)
InChIKeyAVGBKWRMSRDHQD-UHFFFAOYSA-N
XLogP9.68
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.32
LogP ≤ 59.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-2H-indazole;3-(3-bromophenyl)-5-chloro-1H-indazole;5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
CID 161006926
5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole
CID 121402601
5-chloro-3-naphthalen-1-yl-1H-indazole
CID 121402606
3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole
CID 157100096
3-(3-bromophenyl)-6-fluoro-1H-indazole;3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole;6-fluoro-3-iodo-2H-indazole
CID 157587774
3-bromo-5-chloro-2H-indazole;5-chloro-3-naphthalen-1-yl-1H-indazole
CID 158796865

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
The IUPAC name of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole (CID 157241309) is 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole.
What is the SMILES notation for 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
The canonical SMILES for 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole is Clc1ccc2[nH]nc(-c3ccc(-c4cccc5ccccc45)cc3)c2c1.Clc1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
The InChIKey is AVGBKWRMSRDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2.C7H4BrClN2/c24-18-12-13-22-21(14-18)23(26-25-22)17-10-8-16(9-11-17)20-7-3-5-15-4-1-2-6-19(15)20;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-14H,(H,25,26);1-3H,(H,10,11).
What are the key properties of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole?
3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole has a molecular weight of 586.32 g/mol, XLogP of 9.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2H-indazole;5-chloro-3-(4-naphthalen-1-ylphenyl)-1H-indazole is sourced from PubChem (CID 157241309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).