4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride

C7H2Cl2F2INO — CID 118845152

IUPAC4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)cc(Cl)c1C(F)F
InChIInChI=1S/C7H2Cl2F2INO/c8-2-1-3(12)13-5(6(9)14)4(2)7(10)11/h1,7H
InChIKeyOVTBVKHKCKJYBL-UHFFFAOYSA-N
MW351.91 g/mol
LogP3.66
Rot. Bonds2

About 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride

4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride (PubChem CID 118845152) has the molecular formula C7H2Cl2F2INO and a molecular weight of 351.91 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
PubChem CID118845152
Molecular FormulaC7H2Cl2F2INO
Molecular Weight351.91 g/mol
Exact Mass350.85
IUPAC Name4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)cc(Cl)c1C(F)F
InChIInChI=1S/C7H2Cl2F2INO/c8-2-1-3(12)13-5(6(9)14)4(2)7(10)11/h1,7H
InChIKeyOVTBVKHKCKJYBL-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.91
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
2,4-dichloro-3-(difluoromethyl)-6-iodopyridine
CID 118998644
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
3-(difluoromethyl)-2,6-diiodopyridine-4-carbonyl chloride
CID 130100732
4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 118799690
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130073333
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 118805504
6-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130072799
4-chloro-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134674290

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride (CID 118845152) is 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride is O=C(Cl)c1nc(I)cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride?
The InChIKey is OVTBVKHKCKJYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2INO/c8-2-1-3(12)13-5(6(9)14)4(2)7(10)11/h1,7H.
What are the key properties of 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride?
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride has a molecular weight of 351.91 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 118845152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).