3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole

C26H17BrCl2N4 — CID 157100096

IUPAC3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1.Clc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C19H13ClN2.C7H4BrClN2/c20-16-9-10-18-17(12-16)19(22-21-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-12H,(H,21,22);1-3H,(H,10,11)
InChIKeyAFQWSIPMFVPTBK-UHFFFAOYSA-N
MW536.26 g/mol
LogP8.53
Rot. Bonds2

About 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole

3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole (PubChem CID 157100096) has the molecular formula C26H17BrCl2N4 and a molecular weight of 536.26 g/mol. Its IUPAC name is 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole
PubChem CID157100096
Molecular FormulaC26H17BrCl2N4
Molecular Weight536.26 g/mol
Exact Mass534.00
IUPAC Name3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole
SMILESClc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1.Clc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C19H13ClN2.C7H4BrClN2/c20-16-9-10-18-17(12-16)19(22-21-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-12H,(H,21,22);1-3H,(H,10,11)
InChIKeyAFQWSIPMFVPTBK-UHFFFAOYSA-N
XLogP8.53
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.26
LogP ≤ 58.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(3-chlorophenyl)phenyl]-6-fluoro-1H-indazole
CID 121402584
5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
CID 121402602
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
3-(4-bromophenyl)-5-chloro-1H-indazole
CID 125488649
1-(5-bromo-2H-indazol-3-yl)-1-(5-chloro-2H-indazol-3-yl)-2-methylpentane-1,3-diamine
CID 57040462
5-chloro-3-(3-phenylphenyl)-1H-indazole
CID 121402594
3-(3-bromophenyl)-5-chloro-1H-indazole
CID 121402595
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-(4-naphthalen-1-ylphenyl)-1H-indazole
CID 157241309
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-(3-phenylphenyl)-1H-indazole?
The IUPAC name of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole (CID 157100096) is 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole.
What is the SMILES notation for 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole?
The canonical SMILES for 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole is Clc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1.Clc1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole?
The InChIKey is AFQWSIPMFVPTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2.C7H4BrClN2/c20-16-9-10-18-17(12-16)19(22-21-18)15-8-4-7-14(11-15)13-5-2-1-3-6-13;8-7-5-3-4(9)1-2-6(5)10-11-7/h1-12H,(H,21,22);1-3H,(H,10,11).
What are the key properties of 3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole?
3-bromo-5-chloro-2H-indazole;5-chloro-3-(3-phenylphenyl)-1H-indazole has a molecular weight of 536.26 g/mol, XLogP of 8.53, 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-(3-phenylphenyl)-1H-indazole is sourced from PubChem (CID 157100096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).