4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine

C7H5ClF2IN — CID 130096727

IUPAC4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1cncc(I)c1CCl
InChIInChI=1S/C7H5ClF2IN/c8-1-4-5(7(9)10)2-12-3-6(4)11/h2-3,7H,1H2
InChIKeyFKRUEVUNKFVEON-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.36
Rot. Bonds2

About 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine

4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine (PubChem CID 130096727) has the molecular formula C7H5ClF2IN and a molecular weight of 303.48 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
PubChem CID130096727
Molecular FormulaC7H5ClF2IN
Molecular Weight303.48 g/mol
Exact Mass302.91
IUPAC Name4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
SMILESFC(F)c1cncc(I)c1CCl
InChIInChI=1S/C7H5ClF2IN/c8-1-4-5(7(9)10)2-12-3-6(4)11/h2-3,7H,1H2
InChIKeyFKRUEVUNKFVEON-UHFFFAOYSA-N
XLogP3.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.36
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-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119019336
methyl 2-[3-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 134673333
4-(bromomethyl)-3-chloro-5-(difluoromethyl)pyridine
CID 130095511
4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130087578
2-[3-chloro-5-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130095597
ethyl 4-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 130098444
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
3-bromo-4-(chloromethyl)-5-(difluoromethyl)pyridin-2-amine
CID 118998627
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-5-iodopyridine
CID 119014483
4-(bromomethyl)-3-(difluoromethyl)-5-fluoropyridine
CID 130096329
4-(chloromethyl)-2-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 130085626

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine?
The IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine (CID 130096727) is 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine?
The canonical SMILES for 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine is FC(F)c1cncc(I)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine?
The InChIKey is FKRUEVUNKFVEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2IN/c8-1-4-5(7(9)10)2-12-3-6(4)11/h2-3,7H,1H2.
What are the key properties of 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine?
4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine has a molecular weight of 303.48 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine is sourced from PubChem (CID 130096727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).