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

C8H5ClF2INO — CID 130086388

IUPAC5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
SMILESCc1nc(I)c(C(=O)Cl)cc1C(F)F
InChIInChI=1S/C8H5ClF2INO/c1-3-4(7(10)11)2-5(6(9)14)8(12)13-3/h2,7H,1H3
InChIKeyDYALIFWYKVPNIU-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.31
Rot. Bonds2

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

5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride (PubChem CID 130086388) has the molecular formula C8H5ClF2INO and a molecular weight of 331.49 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
PubChem CID130086388
Molecular FormulaC8H5ClF2INO
Molecular Weight331.49 g/mol
Exact Mass330.91
IUPAC Name5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride
SMILESCc1nc(I)c(C(=O)Cl)cc1C(F)F
InChIInChI=1S/C8H5ClF2INO/c1-3-4(7(10)11)2-5(6(9)14)8(12)13-3/h2,7H,1H3
InChIKeyDYALIFWYKVPNIU-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': '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

5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 119018698
6-cyano-5-(difluoromethyl)-2-methylpyridine-3-carbonyl chloride
CID 133107462
5-(difluoromethyl)-6-iodo-2-methylpyridin-3-ol
CID 130082529
methyl 2-[5-(difluoromethyl)-2-iodo-6-methyl-3-pyridinyl]acetate
CID 133101939
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
2-(difluoromethyl)-3-iodo-6-methylpyridine-4-carbonyl chloride
CID 118843473
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride (CID 130086388) is 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride is Cc1nc(I)c(C(=O)Cl)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride?
The InChIKey is DYALIFWYKVPNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO/c1-3-4(7(10)11)2-5(6(9)14)8(12)13-3/h2,7H,1H3.
What are the key properties of 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride?
5-(difluoromethyl)-2-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 5-(difluoromethyl)-2-iodo-6-methylpyridine-3-carbonyl chloride is sourced from PubChem (CID 130086388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).