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

C7H4Cl2F2IN — CID 130073205

IUPAC3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
SMILESFC(F)c1nc(CCl)cc(I)c1Cl
InChIInChI=1S/C7H4Cl2F2IN/c8-2-3-1-4(12)5(9)6(13-3)7(10)11/h1,7H,2H2
InChIKeyBNLVQFMYLMJEJC-UHFFFAOYSA-N
MW337.92 g/mol
LogP4.02
Rot. Bonds2

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

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine (PubChem CID 130073205) has the molecular formula C7H4Cl2F2IN and a molecular weight of 337.92 g/mol. Its IUPAC name is 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine.

Molecular Properties

Compound Name3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
PubChem CID130073205
Molecular FormulaC7H4Cl2F2IN
Molecular Weight337.92 g/mol
Exact Mass336.87
IUPAC Name3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
SMILESFC(F)c1nc(CCl)cc(I)c1Cl
InChIInChI=1S/C7H4Cl2F2IN/c8-2-3-1-4(12)5(9)6(13-3)7(10)11/h1,7H,2H2
InChIKeyBNLVQFMYLMJEJC-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'}

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Related Compounds

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130068320
2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetonitrile
CID 130073242
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
6-bromo-3-chloro-2-(difluoromethyl)-4-iodopyridine
CID 130107866
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
3-chloro-2-(difluoromethyl)-6-iodo-4-methylpyridine
CID 130073016
4-(chloromethyl)-2-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 130080071
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The IUPAC name of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine (CID 130073205) is 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine.
What is the SMILES notation for 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The canonical SMILES for 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine is FC(F)c1nc(CCl)cc(I)c1Cl.
What is the InChIKey of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The InChIKey is BNLVQFMYLMJEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2IN/c8-2-3-1-4(12)5(9)6(13-3)7(10)11/h1,7H,2H2.
What are the key properties of 3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
3-chloro-6-(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-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine is sourced from PubChem (CID 130073205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).