2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile

C10H6F3N3 — CID 76846222

IUPAC2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile
SMILESN#CCc1[nH]nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H6F3N3/c11-10(12,13)6-1-2-7-8(3-4-14)15-16-9(7)5-6/h1-2,5H,3H2,(H,15,16)
InChIKeyAINNMQXWNPSXAL-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.65
Rot. Bonds1

About 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile

2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile (PubChem CID 76846222) has the molecular formula C10H6F3N3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile
PubChem CID76846222
Molecular FormulaC10H6F3N3
Molecular Weight225.17 g/mol
Exact Mass225.05
IUPAC Name2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile
SMILESN#CCc1[nH]nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C10H6F3N3/c11-10(12,13)6-1-2-7-8(3-4-14)15-16-9(7)5-6/h1-2,5H,3H2,(H,15,16)
InChIKeyAINNMQXWNPSXAL-UHFFFAOYSA-N
XLogP2.65
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile?
The IUPAC name of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile (CID 76846222) is 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile?
The canonical SMILES for 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile is N#CCc1[nH]nc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile?
The InChIKey is AINNMQXWNPSXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3/c11-10(12,13)6-1-2-7-8(3-4-14)15-16-9(7)5-6/h1-2,5H,3H2,(H,15,16).
What are the key properties of 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile?
2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile has a molecular weight of 225.17 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile is sourced from PubChem (CID 76846222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).