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

C8H5ClF2INO — CID 130086377

IUPAC3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
SMILESCc1nc(C(=O)Cl)c(C(F)F)cc1I
InChIInChI=1S/C8H5ClF2INO/c1-3-5(12)2-4(8(10)11)6(13-3)7(9)14/h2,8H,1H3
InChIKeyYZOBCCGTBSVPDW-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.31
Rot. Bonds2

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

3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride (PubChem CID 130086377) has the molecular formula C8H5ClF2INO and a molecular weight of 331.49 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
PubChem CID130086377
Molecular FormulaC8H5ClF2INO
Molecular Weight331.49 g/mol
Exact Mass330.91
IUPAC Name3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
SMILESCc1nc(C(=O)Cl)c(C(F)F)cc1I
InChIInChI=1S/C8H5ClF2INO/c1-3-5(12)2-4(8(10)11)6(13-3)7(9)14/h2,8H,1H3
InChIKeyYZOBCCGTBSVPDW-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

4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
CID 130086388
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride (CID 130086377) is 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride is Cc1nc(C(=O)Cl)c(C(F)F)cc1I.
What is the InChIKey of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride?
The InChIKey is YZOBCCGTBSVPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO/c1-3-5(12)2-4(8(10)11)6(13-3)7(9)14/h2,8H,1H3.
What are the key properties of 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride?
3-(difluoromethyl)-5-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 3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride is sourced from PubChem (CID 130086377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).