2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine

C7H4ClF3IN — CID 118855086

IUPAC2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
SMILESFc1cc(I)c(C(F)F)c(CCl)n1
InChIInChI=1S/C7H4ClF3IN/c8-2-4-6(7(10)11)3(12)1-5(9)13-4/h1,7H,2H2
InChIKeyJPICUPQIZKBBBS-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.50
Rot. Bonds2

About 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine

2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine (PubChem CID 118855086) has the molecular formula C7H4ClF3IN and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
PubChem CID118855086
Molecular FormulaC7H4ClF3IN
Molecular Weight321.47 g/mol
Exact Mass320.90
IUPAC Name2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine
SMILESFc1cc(I)c(C(F)F)c(CCl)n1
InChIInChI=1S/C7H4ClF3IN/c8-2-4-6(7(10)11)3(12)1-5(9)13-4/h1,7H,2H2
InChIKeyJPICUPQIZKBBBS-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
3-chloro-2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine
CID 130071789
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
2-chloro-4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119024121
2-(chloromethyl)-6-(difluoromethyl)-5-iodo-3-(trifluoromethyl)pyridine
CID 118815578
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
4-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119024454
2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylic acid
CID 118804299
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine?
The IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine (CID 118855086) is 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine.
What is the SMILES notation for 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine?
The canonical SMILES for 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine is Fc1cc(I)c(C(F)F)c(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine?
The InChIKey is JPICUPQIZKBBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3IN/c8-2-4-6(7(10)11)3(12)1-5(9)13-4/h1,7H,2H2.
What are the key properties of 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine?
2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine has a molecular weight of 321.47 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(difluoromethyl)-6-fluoro-4-iodopyridine is sourced from PubChem (CID 118855086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).