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

C15H8F3N3 — CID 90645472

IUPAC5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile
SMILESN#Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-11(13)12-5-10-8-20-21-14(10)6-9(12)7-19/h1-6,8H,(H,20,21)
InChIKeyKXWZZRHVIAVSMX-UHFFFAOYSA-N
MW287.24 g/mol
LogP4.12
Rot. Bonds1

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

5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile (PubChem CID 90645472) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile
PubChem CID90645472
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile
SMILESN#Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-11(13)12-5-10-8-20-21-14(10)6-9(12)7-19/h1-6,8H,(H,20,21)
InChIKeyKXWZZRHVIAVSMX-UHFFFAOYSA-N
XLogP4.12
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile (CID 90645472) is 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile is N#Cc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile?
The InChIKey is KXWZZRHVIAVSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)13-4-2-1-3-11(13)12-5-10-8-20-21-14(10)6-9(12)7-19/h1-6,8H,(H,20,21).
What are the key properties of 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile?
5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile has a molecular weight of 287.24 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile is sourced from PubChem (CID 90645472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).