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

C7H4Cl2F2IN — CID 130073182

IUPAC3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
SMILESFC(F)c1ncc(CCl)c(I)c1Cl
InChIInChI=1S/C7H4Cl2F2IN/c8-1-3-2-13-6(7(10)11)4(9)5(3)12/h2,7H,1H2
InChIKeyIKGUDEJRTWOVLH-UHFFFAOYSA-N
MW337.92 g/mol
LogP4.02
Rot. Bonds2

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

3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine (PubChem CID 130073182) has the molecular formula C7H4Cl2F2IN and a molecular weight of 337.92 g/mol. Its IUPAC name is 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine.

Molecular Properties

Compound Name3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
PubChem CID130073182
Molecular FormulaC7H4Cl2F2IN
Molecular Weight337.92 g/mol
Exact Mass336.87
IUPAC Name3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
SMILESFC(F)c1ncc(CCl)c(I)c1Cl
InChIInChI=1S/C7H4Cl2F2IN/c8-1-3-2-13-6(7(10)11)4(9)5(3)12/h2,7H,1H2
InChIKeyIKGUDEJRTWOVLH-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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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

5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine-3-carbaldehyde
CID 130087544
5-(chloromethyl)-2-(difluoromethyl)-3-iodopyridine-4-carbaldehyde
CID 130087542
3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-iodopyridine
CID 130073184
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbaldehyde
CID 130075632
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207
3-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130095522
4-(chloromethyl)-6-(difluoromethyl)-5-iodopyridin-3-ol
CID 130082698
5-chloro-2-(difluoromethyl)-3,4-diiodopyridine
CID 130100445
4,5-dichloro-3-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099347
5-bromo-4-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130107883
4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130071902

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The IUPAC name of 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine (CID 130073182) is 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine.
What is the SMILES notation for 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The canonical SMILES for 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine is FC(F)c1ncc(CCl)c(I)c1Cl.
What is the InChIKey of 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The InChIKey is IKGUDEJRTWOVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2IN/c8-1-3-2-13-6(7(10)11)4(9)5(3)12/h2,7H,1H2.
What are the key properties of 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-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 3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine is sourced from PubChem (CID 130073182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).