3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole

C21H13Cl2F3N2 — CID 68816519

IUPAC3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3cccc(Cl)c3)n(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C21H13Cl2F3N2/c22-15-9-7-13(8-10-15)12-28-20(14-3-1-4-16(23)11-14)17-5-2-6-18(19(17)27-28)21(24,25)26/h1-11H,12H2
InChIKeyVVHUOSTXUZYZJV-UHFFFAOYSA-N
MW421.25 g/mol
LogP7.08
Rot. Bonds3

About 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole

3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole (PubChem CID 68816519) has the molecular formula C21H13Cl2F3N2 and a molecular weight of 421.25 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
PubChem CID68816519
Molecular FormulaC21H13Cl2F3N2
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3cccc(Cl)c3)n(Cc3ccc(Cl)cc3)nc12
InChIInChI=1S/C21H13Cl2F3N2/c22-15-9-7-13(8-10-15)12-28-20(14-3-1-4-16(23)11-14)17-5-2-6-18(19(17)27-28)21(24,25)26/h1-11H,12H2
InChIKeyVVHUOSTXUZYZJV-UHFFFAOYSA-N
XLogP7.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.25
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole (CID 68816519) is 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3cccc(Cl)c3)n(Cc3ccc(Cl)cc3)nc12.
What is the InChIKey of 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
The InChIKey is VVHUOSTXUZYZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N2/c22-15-9-7-13(8-10-15)12-28-20(14-3-1-4-16(23)11-14)17-5-2-6-18(19(17)27-28)21(24,25)26/h1-11H,12H2.
What are the key properties of 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole has a molecular weight of 421.25 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 68816519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).