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

C7H4Cl2F2IN — CID 119019336

IUPAC2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1cnc(Cl)c(I)c1CCl
InChIInChI=1S/C7H4Cl2F2IN/c8-1-3-4(7(10)11)2-13-6(9)5(3)12/h2,7H,1H2
InChIKeyFIMPGQWVHAIICA-UHFFFAOYSA-N
MW337.92 g/mol
LogP4.02
Rot. Bonds2

About 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine

2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine (PubChem CID 119019336) has the molecular formula C7H4Cl2F2IN and a molecular weight of 337.92 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
PubChem CID119019336
Molecular FormulaC7H4Cl2F2IN
Molecular Weight337.92 g/mol
Exact Mass336.87
IUPAC Name2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1cnc(Cl)c(I)c1CCl
InChIInChI=1S/C7H4Cl2F2IN/c8-1-3-4(7(10)11)2-13-6(9)5(3)12/h2,7H,1H2
InChIKeyFIMPGQWVHAIICA-UHFFFAOYSA-N
XLogP4.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.92
LogP ≤ 54.02
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'}

Analyze 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 130087578
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-methylpyridine
CID 119006119
methyl 2-[2-chloro-5-(difluoromethyl)-3-iodo-4-pyridinyl]acetate
CID 134685488
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-5-iodopyridine
CID 119014483
4-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine
CID 130096727
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-iodopyridine
CID 119013287
2-chloro-5-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 119015773
2-chloro-3-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine
CID 119020474
2-[3-(chloromethyl)-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130087437
4-(chloromethyl)-5-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 118829122
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridin-4-amine
CID 118844985
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
The IUPAC name of 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine (CID 119019336) is 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
The canonical SMILES for 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine is FC(F)c1cnc(Cl)c(I)c1CCl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
The InChIKey is FIMPGQWVHAIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2IN/c8-1-3-4(7(10)11)2-13-6(9)5(3)12/h2,7H,1H2.
What are the key properties of 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine has a molecular weight of 337.92 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine is sourced from PubChem (CID 119019336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).