4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium

C9H8F3N2+ — CID 162563899

IUPAC4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium
SMILESC[N+]12C=CC=CC1=NC(C(F)(F)F)=C2
InChIInChI=1S/C9H8F3N2/c1-14-5-3-2-4-8(14)13-7(6-14)9(10,11)12/h2-6H,1H3/q+1
InChIKeyKSDYGHIJQKMKSK-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.33
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium

4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium (PubChem CID 162563899) has the molecular formula C9H8F3N2+ and a molecular weight of 201.17 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium
PubChem CID162563899
Molecular FormulaC9H8F3N2+
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium
SMILESC[N+]12C=CC=CC1=NC(C(F)(F)F)=C2
InChIInChI=1S/C9H8F3N2/c1-14-5-3-2-4-8(14)13-7(6-14)9(10,11)12/h2-6H,1H3/q+1
InChIKeyKSDYGHIJQKMKSK-UHFFFAOYSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium (CID 162563899) is 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium is C[N+]12C=CC=CC1=NC(C(F)(F)F)=C2.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium?
The InChIKey is KSDYGHIJQKMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N2/c1-14-5-3-2-4-8(14)13-7(6-14)9(10,11)12/h2-6H,1H3/q+1.
What are the key properties of 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium?
4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium has a molecular weight of 201.17 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 162563899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).