5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine

C10H8F3N3 — CID 118970309

IUPAC5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC(C2=CN=C=N2)=CNC1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c1-6-2-7(8-4-14-5-16-8)3-15-9(6)10(11,12)13/h2-4,9,15H,1H3
InChIKeyQZIOYALJXQRURV-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.38
Rot. Bonds1

About 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine

5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 118970309) has the molecular formula C10H8F3N3 and a molecular weight of 227.19 g/mol. Its IUPAC name is 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID118970309
Molecular FormulaC10H8F3N3
Molecular Weight227.19 g/mol
Exact Mass227.07
IUPAC Name5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine
SMILESCC1=CC(C2=CN=C=N2)=CNC1C(F)(F)F
InChIInChI=1S/C10H8F3N3/c1-6-2-7(8-4-14-5-16-8)3-15-9(6)10(11,12)13/h2-4,9,15H,1H3
InChIKeyQZIOYALJXQRURV-UHFFFAOYSA-N
XLogP2.38
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine (CID 118970309) is 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine is CC1=CC(C2=CN=C=N2)=CNC1C(F)(F)F.
What is the InChIKey of 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is QZIOYALJXQRURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3/c1-6-2-7(8-4-14-5-16-8)3-15-9(6)10(11,12)13/h2-4,9,15H,1H3.
What are the key properties of 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine?
5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 227.19 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-4-yl-3-methyl-2-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 118970309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).