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

C8H3ClF6INO — CID 134676595

IUPAC2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cc(I)c(C(F)(F)F)c(CCl)n1
InChIInChI=1S/C8H3ClF6INO/c9-2-4-6(7(10,11)12)3(16)1-5(17-4)18-8(13,14)15/h1H,2H2
InChIKeyUPFAMHDFDBLIKX-UHFFFAOYSA-N
MW405.46 g/mol
LogP4.34
Rot. Bonds2

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

2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 134676595) has the molecular formula C8H3ClF6INO and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID134676595
Molecular FormulaC8H3ClF6INO
Molecular Weight405.46 g/mol
Exact Mass404.89
IUPAC Name2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1cc(I)c(C(F)(F)F)c(CCl)n1
InChIInChI=1S/C8H3ClF6INO/c9-2-4-6(7(10,11)12)3(16)1-5(17-4)18-8(13,14)15/h1H,2H2
InChIKeyUPFAMHDFDBLIKX-UHFFFAOYSA-N
XLogP4.34
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[3-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681211
2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
4-iodo-6-methoxy-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134680738
2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 118810105
2,4-diiodo-6-(trifluoromethoxy)pyridin-3-amine
CID 131214175
4-iodo-3-methyl-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134681197
3-(chloromethyl)-2-iodo-4-methyl-6-(trifluoromethoxy)pyridine
CID 130112791
2-[2-(chloromethyl)-4-methyl-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118827115
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105
2-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 118815703
[4-(bromomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668935
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 134676595) is 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is FC(F)(F)Oc1cc(I)c(C(F)(F)F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is UPFAMHDFDBLIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF6INO/c9-2-4-6(7(10,11)12)3(16)1-5(17-4)18-8(13,14)15/h1H,2H2.
What are the key properties of 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 405.46 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 134676595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).