2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile

C13H12F3N3 — CID 82060759

IUPAC2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(C)c1nc2ccc(C(F)(F)F)cn2c1C#N
InChIInChI=1S/C13H12F3N3/c1-12(2,3)11-9(6-17)19-7-8(13(14,15)16)4-5-10(19)18-11/h4-5,7H,1-3H3
InChIKeyVECWMHCZHJEUTQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.52
Rot. Bonds

About 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile

2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82060759) has the molecular formula C13H12F3N3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82060759
Molecular FormulaC13H12F3N3
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(C)(C)c1nc2ccc(C(F)(F)F)cn2c1C#N
InChIInChI=1S/C13H12F3N3/c1-12(2,3)11-9(6-17)19-7-8(13(14,15)16)4-5-10(19)18-11/h4-5,7H,1-3H3
InChIKeyVECWMHCZHJEUTQ-UHFFFAOYSA-N
XLogP3.52
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060770
2-pyridin-4-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060763
2-pyridin-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060765
2-[(4-fluorophenyl)methyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 94964291
2-tert-butyl-7-(1,1,2,2,2-pentafluoroethyl)imidazo[1,2-c]pyrimidine-3-carbonitrile
CID 170213571
2-tert-butyl-7-(1,1,2,2-tetrafluoroethyl)imidazo[1,2-c]pyrimidine-3-carbonitrile
CID 176738855
1-[2-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine
CID 84711114
3-ethylsulfanyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-thiol
CID 156742112
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793
methyl 3-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 46941700
2,5-dimethylimidazo[1,2-a]pyridine-6-carbonitrile
CID 82060852
3-ethylsulfonyl-2-fluoro-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 163663312

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 82060759) is 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile is CC(C)(C)c1nc2ccc(C(F)(F)F)cn2c1C#N.
What is the InChIKey of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is VECWMHCZHJEUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3/c1-12(2,3)11-9(6-17)19-7-8(13(14,15)16)4-5-10(19)18-11/h4-5,7H,1-3H3.
What are the key properties of 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile?
2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 267.25 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82060759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).