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

C7H4ClF3INO — CID 118804265

IUPAC2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(I)nc1CCl
InChIInChI=1S/C7H4ClF3INO/c8-3-4-5(14-7(9,10)11)1-2-6(12)13-4/h1-2H,3H2
InChIKeyFDUKNDXIJREFAS-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.32
Rot. Bonds2

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

2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine (PubChem CID 118804265) has the molecular formula C7H4ClF3INO and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine
PubChem CID118804265
Molecular FormulaC7H4ClF3INO
Molecular Weight337.47 g/mol
Exact Mass336.90
IUPAC Name2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine
SMILESFC(F)(F)Oc1ccc(I)nc1CCl
InChIInChI=1S/C7H4ClF3INO/c8-3-4-5(14-7(9,10)11)1-2-6(12)13-4/h1-2H,3H2
InChIKeyFDUKNDXIJREFAS-UHFFFAOYSA-N
XLogP3.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.32
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

6-chloro-2-(chloromethyl)-3-(trifluoromethoxy)pyridine
CID 130089776
6-(chloromethyl)-2-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826840
2-(chloromethyl)-3-iodo-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 118810105
2-[2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118826870
methyl 2-[2-(chloromethyl)-6-iodo-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679997
2-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134676595
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridine
CID 134679264
5-(chloromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 130092462
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
2-(chloromethyl)-3-methyl-6-nitro-5-(trifluoromethoxy)pyridine
CID 118804281
2-(chloromethyl)-6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130113375
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine (CID 118804265) is 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine is FC(F)(F)Oc1ccc(I)nc1CCl.
What is the InChIKey of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine?
The InChIKey is FDUKNDXIJREFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO/c8-3-4-5(14-7(9,10)11)1-2-6(12)13-4/h1-2H,3H2.
What are the key properties of 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine?
2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine has a molecular weight of 337.47 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-iodo-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118804265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).