3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile

C12H10F3N3 — CID 156532984

IUPAC3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile
SMILESCc1cn2cc(C(F)(F)F)cc(CCC#N)c2n1
InChIInChI=1S/C12H10F3N3/c1-8-6-18-7-10(12(13,14)15)5-9(3-2-4-16)11(18)17-8/h5-7H,2-3H2,1H3
InChIKeyRLTGAQOYQFSCPJ-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.12
Rot. Bonds2

About 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile

3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile (PubChem CID 156532984) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile.

Molecular Properties

Compound Name3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile
PubChem CID156532984
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile
SMILESCc1cn2cc(C(F)(F)F)cc(CCC#N)c2n1
InChIInChI=1S/C12H10F3N3/c1-8-6-18-7-10(12(13,14)15)5-9(3-2-4-16)11(18)17-8/h5-7H,2-3H2,1H3
InChIKeyRLTGAQOYQFSCPJ-UHFFFAOYSA-N
XLogP3.12
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 156793242
2,6-dimethyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 156888110
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonitrile
CID 59377305
CID 156845153
CID 156845153
ethyl 2-(2-cyanoethyl)-5-(trifluoromethyl)benzoate
CID 134644302
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227
3-[3-fluoro-5-(trifluoromethyl)phenyl]propanenitrile
CID 53434405
3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212043
2-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanethioamide
CID 82530667
propanenitrile;3-[2-(trifluoromethyl)phenyl]propanenitrile
CID 163942227
3-(4-methyl-6-propylpyrimidin-2-yl)propanenitrile
CID 116895090
8-bromo-6-fluoro-2-methylimidazo[1,2-a]pyridine
CID 82473986

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile?
The IUPAC name of 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile (CID 156532984) is 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile.
What is the SMILES notation for 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile?
The canonical SMILES for 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile is Cc1cn2cc(C(F)(F)F)cc(CCC#N)c2n1.
What is the InChIKey of 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile?
The InChIKey is RLTGAQOYQFSCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-8-6-18-7-10(12(13,14)15)5-9(3-2-4-16)11(18)17-8/h5-7H,2-3H2,1H3.
What are the key properties of 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile?
3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile has a molecular weight of 253.23 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]propanenitrile is sourced from PubChem (CID 156532984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).