2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

C16H10F3N3 — CID 82060793

IUPAC2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESN#CCc1c(-c2ccccc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H10F3N3/c17-16(18,19)12-6-7-14-21-15(11-4-2-1-3-5-11)13(8-9-20)22(14)10-12/h1-7,10H,8H2
InChIKeyKXWJSEMWKNUUEN-UHFFFAOYSA-N
MW301.27 g/mol
LogP4.09
Rot. Bonds2

About 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile

2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (PubChem CID 82060793) has the molecular formula C16H10F3N3 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
PubChem CID82060793
Molecular FormulaC16H10F3N3
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
SMILESN#CCc1c(-c2ccccc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C16H10F3N3/c17-16(18,19)12-6-7-14-21-15(11-4-2-1-3-5-11)13(8-9-20)22(14)10-12/h1-7,10H,8H2
InChIKeyKXWJSEMWKNUUEN-UHFFFAOYSA-N
XLogP4.09
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121
2-[2-(4-aminophenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82530319
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133881
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-pyridin-4-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060763
1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 167889452
2-[2-(3-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 90159283
[2-(3-methoxyphenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46224159
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060765
1-[2-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 84711114
N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide
CID 136575533

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile (CID 82060793) is 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is N#CCc1c(-c2ccccc2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
The InChIKey is KXWJSEMWKNUUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3/c17-16(18,19)12-6-7-14-21-15(11-4-2-1-3-5-11)13(8-9-20)22(14)10-12/h1-7,10H,8H2.
What are the key properties of 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile?
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile has a molecular weight of 301.27 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile is sourced from PubChem (CID 82060793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).