1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide

C7H7F3IN — CID 44890101

IUPAC1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide
SMILESC[n+]1cccc(C(F)(F)F)c1.[I-]
InChIInChI=1S/C7H7F3N.HI/c1-11-4-2-3-6(5-11)7(8,9)10;/h2-5H,1H3;1H/q+1;/p-1
InChIKeyQSUGVUUVHNUUBT-UHFFFAOYSA-M
MW289.04 g/mol
LogP-1.47
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide

1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide (PubChem CID 44890101) has the molecular formula C7H7F3IN and a molecular weight of 289.04 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide
PubChem CID44890101
Molecular FormulaC7H7F3IN
Molecular Weight289.04 g/mol
Exact Mass288.96
IUPAC Name1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide
SMILESC[n+]1cccc(C(F)(F)F)c1.[I-]
InChIInChI=1S/C7H7F3N.HI/c1-11-4-2-3-6(5-11)7(8,9)10;/h2-5H,1H3;1H/q+1;/p-1
InChIKeyQSUGVUUVHNUUBT-UHFFFAOYSA-M
XLogP-1.47
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.04
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[4-(trifluoromethyl)phenyl]pyridin-1-ium iodide
CID 24799783
phosphane;trifluoromethylbenzene
CID 175486194
ethane;bis(trifluoromethylbenzene)
CID 142912000
trifluoromethylbenzene;dihydrochloride
CID 171928889
4-chloro-1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-1-ium
CID 23345832
iodomethane;4-(1-methylpyridin-1-ium-3-yl)-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine;iodide
CID 161467452
trimethyl-[[1-methyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylmethyl]silane
CID 10788706
3-(1-methylpyridin-1-ium-3-yl)phenol iodide
CID 24799785
N-(2,6-dimethylphenyl)-2-[3-(trifluoromethyl)pyridin-1-ium-1-yl]acetamide;methanol;yttrium
CID 155692700
ethane;toluene;trifluoromethylbenzene
CID 161105309
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-1-ium bromide
CID 86655189
tetramethylazanium;trimethyl-[3-(trifluoromethyl)phenyl]azanium;dihydroxide
CID 162445887

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide (CID 44890101) is 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide is C[n+]1cccc(C(F)(F)F)c1.[I-].
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide?
The InChIKey is QSUGVUUVHNUUBT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7F3N.HI/c1-11-4-2-3-6(5-11)7(8,9)10;/h2-5H,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide?
1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide has a molecular weight of 289.04 g/mol, XLogP of -1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyridin-1-ium iodide is sourced from PubChem (CID 44890101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).