6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C14H8ClF3N2 — CID 90645459

IUPAC6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
InChIKeyBIWXFLAZRBTWMI-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.90
Rot. Bonds1

About 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645459) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645459
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl
InChIInChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20)
InChIKeyBIWXFLAZRBTWMI-UHFFFAOYSA-N
XLogP4.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645459) is 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is BIWXFLAZRBTWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c15-12-6-13-8(7-19-20-13)5-10(12)9-3-1-2-4-11(9)14(16,17)18/h1-7H,(H,19,20).
What are the key properties of 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 296.68 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).