2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride

C8H5ClF2INO — CID 118849139

IUPAC2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
SMILESCc1nc(C(F)F)c(C(=O)Cl)cc1I
InChIInChI=1S/C8H5ClF2INO/c1-3-5(12)2-4(7(9)14)6(13-3)8(10)11/h2,8H,1H3
InChIKeyLOYVEUIYTNYERA-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.31
Rot. Bonds2

About 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride

2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride (PubChem CID 118849139) has the molecular formula C8H5ClF2INO and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
PubChem CID118849139
Molecular FormulaC8H5ClF2INO
Molecular Weight331.49 g/mol
Exact Mass330.91
IUPAC Name2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
SMILESCc1nc(C(F)F)c(C(=O)Cl)cc1I
InChIInChI=1S/C8H5ClF2INO/c1-3-5(12)2-4(7(9)14)6(13-3)8(10)11/h2,8H,1H3
InChIKeyLOYVEUIYTNYERA-UHFFFAOYSA-N
XLogP3.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
6-cyano-2-(difluoromethyl)-5-iodopyridine-3-carbonyl chloride
CID 134686290
2-(difluoromethyl)-3-iodo-6-methylpyridine-4-carbonyl chloride
CID 118843473
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103005
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502
6-chloro-2-(difluoromethyl)-5-iodopyridine-3-carboxylic acid
CID 119006565

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride (CID 118849139) is 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride is Cc1nc(C(F)F)c(C(=O)Cl)cc1I.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride?
The InChIKey is LOYVEUIYTNYERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO/c1-3-5(12)2-4(7(9)14)6(13-3)8(10)11/h2,8H,1H3.
What are the key properties of 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride?
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride has a molecular weight of 331.49 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 118849139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).