methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane

C9H9F3IN — CID 163799716

IUPACmethylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane
SMILESC=ICc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C9H9F3IN/c1-6-3-7(9(10,11)12)4-8(14-6)5-13-2/h3-4H,2,5H2,1H3
InChIKeyNDXLQBPFKUSORF-UHFFFAOYSA-N
MW315.08 g/mol
LogP3.31
Rot. Bonds2

About methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane

methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane (PubChem CID 163799716) has the molecular formula C9H9F3IN and a molecular weight of 315.08 g/mol. Its IUPAC name is methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane.

Molecular Properties

Compound Namemethylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane
PubChem CID163799716
Molecular FormulaC9H9F3IN
Molecular Weight315.08 g/mol
Exact Mass314.97
IUPAC Namemethylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane
SMILESC=ICc1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C9H9F3IN/c1-6-3-7(9(10,11)12)4-8(14-6)5-13-2/h3-4H,2,5H2,1H3
InChIKeyNDXLQBPFKUSORF-UHFFFAOYSA-N
XLogP3.31
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.08
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine
CID 132934758
2-ethyl-4,6-bis(trifluoromethyl)pyridine
CID 133094723
1-[2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]ethyl]pyrrolidin-2-one
CID 72907484
2-cyclopropyl-6-methyl-4-(trifluoromethyl)pyridine
CID 71573882
2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
CID 130967564
ethane;3-ethyl-1-methyl-6-(trifluoromethyl)isoquinoline
CID 143771038
2-methyl-6-(3-pyridin-2-ylpropoxy)-4-(trifluoromethyl)pyridine
CID 23380582
2-methyl-6-(2-phenylethoxy)-4-(trifluoromethyl)pyridine
CID 23380586
2-methyl-4-(trifluoromethyl)pyridine;propane
CID 143330484
2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
2-chloro-6-methyl-4-(trifluoromethyl)pyridine;ethanol;methane;[6-methyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 162202560
ethane;3-methyl-5-(trifluoromethyl)pyridazine
CID 143735525

Frequently Asked Questions

What is the IUPAC name of methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane?
The IUPAC name of methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane (CID 163799716) is methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane.
What is the SMILES notation for methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane?
The canonical SMILES for methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane is C=ICc1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane?
The InChIKey is NDXLQBPFKUSORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3IN/c1-6-3-7(9(10,11)12)4-8(14-6)5-13-2/h3-4H,2,5H2,1H3.
What are the key properties of methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane?
methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane has a molecular weight of 315.08 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane is sourced from PubChem (CID 163799716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).