2-indazol-1-yl-5-(trifluoromethyl)benzonitrile

C15H8F3N3 — CID 62140935

IUPAC2-indazol-1-yl-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-n1ncc2ccccc21
InChIInChI=1S/C15H8F3N3/c16-15(17,18)12-5-6-14(11(7-12)8-19)21-13-4-2-1-3-10(13)9-20-21/h1-7,9H
InChIKeyWGYSKEFCFUJMFN-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.92
Rot. Bonds1

About 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile

2-indazol-1-yl-5-(trifluoromethyl)benzonitrile (PubChem CID 62140935) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-indazol-1-yl-5-(trifluoromethyl)benzonitrile
PubChem CID62140935
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name2-indazol-1-yl-5-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(C(F)(F)F)ccc1-n1ncc2ccccc21
InChIInChI=1S/C15H8F3N3/c16-15(17,18)12-5-6-14(11(7-12)8-19)21-13-4-2-1-3-10(13)9-20-21/h1-7,9H
InChIKeyWGYSKEFCFUJMFN-UHFFFAOYSA-N
XLogP3.92
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-indazol-1-ylbenzonitrile
CID 55040979
1-[3-(trifluoromethyl)phenyl]indazole
CID 21044942
4-indazol-1-yl-2,6-dimethylpyridine-3-carbonitrile
CID 81060210
3-indazol-1-ylpyridazine-4-carbonitrile
CID 80509904
1-[2-fluoro-4-(trifluoromethyl)phenyl]indazol-6-amine
CID 107303945
4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 162609134
1-[2-chloro-4-(trifluoromethyl)phenyl]-5-(methylamino)pyrazole-4-carbonitrile
CID 13281506
2-(3-methylpyrazol-1-yl)-5-(trifluoromethyl)benzonitrile
CID 62487089
2-[3,5-bis[2-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609734
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666
propan-2-ylcyclopropane;1-[5-(trifluoromethyl)-2-pyridinyl]indazole
CID 157032809
2,6-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-3,5-di(carbazol-9-yl)pyridine-4-carbonitrile
CID 137369356

Frequently Asked Questions

What is the IUPAC name of 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile (CID 62140935) is 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile is N#Cc1cc(C(F)(F)F)ccc1-n1ncc2ccccc21.
What is the InChIKey of 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile?
The InChIKey is WGYSKEFCFUJMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)12-5-6-14(11(7-12)8-19)21-13-4-2-1-3-10(13)9-20-21/h1-7,9H.
What are the key properties of 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile?
2-indazol-1-yl-5-(trifluoromethyl)benzonitrile has a molecular weight of 287.24 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-5-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 62140935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).