7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile

C9H4F3N3 — CID 119009669

IUPAC7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C9H4F3N3/c10-9(11,12)6-1-2-15-7(4-13)5-14-8(15)3-6/h1-3,5H
InChIKeyXEXUHOUUCSYZNI-UHFFFAOYSA-N
MW211.15 g/mol
LogP2.22
Rot. Bonds

About 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile

7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 119009669) has the molecular formula C9H4F3N3 and a molecular weight of 211.15 g/mol. Its IUPAC name is 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID119009669
Molecular FormulaC9H4F3N3
Molecular Weight211.15 g/mol
Exact Mass211.04
IUPAC Name7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C9H4F3N3/c10-9(11,12)6-1-2-15-7(4-13)5-14-8(15)3-6/h1-3,5H
InChIKeyXEXUHOUUCSYZNI-UHFFFAOYSA-N
XLogP2.22
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 119009669) is 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is XEXUHOUUCSYZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3/c10-9(11,12)6-1-2-15-7(4-13)5-14-8(15)3-6/h1-3,5H.
What are the key properties of 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 211.15 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 119009669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).