6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile

C13H11F3N4 — CID 177181228

IUPAC6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(C#N)cn1
InChIInChI=1S/C13H11F3N4/c1-8(2)20-7-11(13(14,15)16)19-12(20)10-4-3-9(5-17)6-18-10/h3-4,6-8H,1-2H3
InChIKeySCKJIFRIXJMSHU-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.42
Rot. Bonds2

About 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile

6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile (PubChem CID 177181228) has the molecular formula C13H11F3N4 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile
PubChem CID177181228
Molecular FormulaC13H11F3N4
Molecular Weight280.25 g/mol
Exact Mass280.09
IUPAC Name6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(C#N)cn1
InChIInChI=1S/C13H11F3N4/c1-8(2)20-7-11(13(14,15)16)19-12(20)10-4-3-9(5-17)6-18-10/h3-4,6-8H,1-2H3
InChIKeySCKJIFRIXJMSHU-UHFFFAOYSA-N
XLogP3.42
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 177004636
[5-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]selenophen-2-yl]methanol
CID 177324181
2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine
CID 175150637
2-[C-[(E)-2-amino-1-chloroethenyl]-N-propan-2-ylcarbonimidoyl]-4-[[6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 177024311
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
4-[1-(azetidin-3-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile
CID 129139571
4-[1-(oxan-4-yl)-4-(trifluoromethyl)imidazol-2-yl]benzonitrile
CID 172586680
5-cyano-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-2-carboxamide
CID 129002375
6-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyridine-3-carbonitrile
CID 115389620
4-N,4-N-dimethyl-2-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 178172313
3-fluoro-2-methoxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzaldehyde
CID 170707674
methyl 3-hydroxy-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]benzoate
CID 162378399

Frequently Asked Questions

What is the IUPAC name of 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile (CID 177181228) is 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile is CC(C)n1cc(C(F)(F)F)nc1-c1ccc(C#N)cn1.
What is the InChIKey of 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is SCKJIFRIXJMSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4/c1-8(2)20-7-11(13(14,15)16)19-12(20)10-4-3-9(5-17)6-18-10/h3-4,6-8H,1-2H3.
What are the key properties of 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile?
6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 280.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 177181228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).