3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine

C8H6ClF3INO — CID 130112791

IUPAC3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)nc(I)c1CCl
InChIInChI=1S/C8H6ClF3INO/c1-4-2-6(15-8(10,11)12)14-7(13)5(4)3-9/h2H,3H2,1H3
InChIKeyTVNKPAHRYJOGIA-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.63
Rot. Bonds2

About 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine

3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine (PubChem CID 130112791) has the molecular formula C8H6ClF3INO and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
PubChem CID130112791
Molecular FormulaC8H6ClF3INO
Molecular Weight351.49 g/mol
Exact Mass350.91
IUPAC Name3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
SMILESCc1cc(OC(F)(F)F)nc(I)c1CCl
InChIInChI=1S/C8H6ClF3INO/c1-4-2-6(15-8(10,11)12)14-7(13)5(4)3-9/h2H,3H2,1H3
InChIKeyTVNKPAHRYJOGIA-UHFFFAOYSA-N
XLogP3.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(bromomethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112748
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
3-(aminomethyl)-2-iodo-6-(trifluoromethoxy)pyridin-4-amine
CID 131601200
[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131266022
3-(bromomethyl)-2-methoxy-4-methyl-6-(trifluoromethoxy)pyridine
CID 130113330
ethyl 2-[3-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681211
3-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134665228
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134676595
6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130112786
[2-iodo-4-nitro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660047

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine (CID 130112791) is 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine is Cc1cc(OC(F)(F)F)nc(I)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
The InChIKey is TVNKPAHRYJOGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3INO/c1-4-2-6(15-8(10,11)12)14-7(13)5(4)3-9/h2H,3H2,1H3.
What are the key properties of 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine?
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine has a molecular weight of 351.49 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).