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

C8H5ClF2INO — CID 118829473

IUPAC4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(F)F)c(I)c(C(=O)Cl)n1
InChIInChI=1S/C8H5ClF2INO/c1-3-2-4(8(10)11)5(12)6(13-3)7(9)14/h2,8H,1H3
InChIKeyPTWAQNJJFVYRAX-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.31
Rot. Bonds2

About 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride

4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride (PubChem CID 118829473) has the molecular formula C8H5ClF2INO and a molecular weight of 331.49 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
PubChem CID118829473
Molecular FormulaC8H5ClF2INO
Molecular Weight331.49 g/mol
Exact Mass330.91
IUPAC Name4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
SMILESCc1cc(C(F)F)c(I)c(C(=O)Cl)n1
InChIInChI=1S/C8H5ClF2INO/c1-3-2-4(8(10)11)5(12)6(13-3)7(9)14/h2,8H,1H3
InChIKeyPTWAQNJJFVYRAX-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'}

Analyze 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride 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-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
2-(difluoromethyl)-3-iodo-6-methylpyridine-4-carbonyl chloride
CID 118843473
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride (CID 118829473) is 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride is Cc1cc(C(F)F)c(I)c(C(=O)Cl)n1.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride?
The InChIKey is PTWAQNJJFVYRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO/c1-3-2-4(8(10)11)5(12)6(13-3)7(9)14/h2,8H,1H3.
What are the key properties of 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride?
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-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 4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 118829473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).