2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine

C10H10F3N3 — CID 175700121

IUPAC2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine
SMILESCN1C=CC(C(F)(F)F)=CC1c1ncc[nH]1
InChIInChI=1S/C10H10F3N3/c1-16-5-2-7(10(11,12)13)6-8(16)9-14-3-4-15-9/h2-6,8H,1H3,(H,14,15)
InChIKeyJAOWRKQWVVJGQE-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.40
Rot. Bonds1

About 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine

2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine (PubChem CID 175700121) has the molecular formula C10H10F3N3 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine
PubChem CID175700121
Molecular FormulaC10H10F3N3
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine
SMILESCN1C=CC(C(F)(F)F)=CC1c1ncc[nH]1
InChIInChI=1S/C10H10F3N3/c1-16-5-2-7(10(11,12)13)6-8(16)9-14-3-4-15-9/h2-6,8H,1H3,(H,14,15)
InChIKeyJAOWRKQWVVJGQE-UHFFFAOYSA-N
XLogP2.40
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine (CID 175700121) is 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine is CN1C=CC(C(F)(F)F)=CC1c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine?
The InChIKey is JAOWRKQWVVJGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3/c1-16-5-2-7(10(11,12)13)6-8(16)9-14-3-4-15-9/h2-6,8H,1H3,(H,14,15).
What are the key properties of 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine?
2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine has a molecular weight of 229.21 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-methyl-4-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 175700121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).