4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride

C8H5ClF2INO2 — CID 133101443

IUPAC4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
SMILESCOc1c(I)ncc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c1-15-5-4(7(10)11)3(6(9)14)2-13-8(5)12/h2,7H,1H3
InChIKeyFLTQBAVZFPLDLD-UHFFFAOYSA-N
MW347.49 g/mol
LogP3.01
Rot. Bonds3

About 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride

4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride (PubChem CID 133101443) has the molecular formula C8H5ClF2INO2 and a molecular weight of 347.49 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
PubChem CID133101443
Molecular FormulaC8H5ClF2INO2
Molecular Weight347.49 g/mol
Exact Mass346.90
IUPAC Name4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride
SMILESCOc1c(I)ncc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H5ClF2INO2/c1-15-5-4(7(10)11)3(6(9)14)2-13-8(5)12/h2,7H,1H3
InChIKeyFLTQBAVZFPLDLD-UHFFFAOYSA-N
XLogP3.01
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-bromo-4-(difluoromethyl)-6-iodopyridine-3-carbonyl chloride
CID 130068518
4-(difluoromethyl)-6-methoxy-5-methylpyridine-3-carbonyl chloride
CID 133099697
6-(difluoromethyl)-5-fluoro-4-methoxypyridine-3-carbonyl chloride
CID 133105551
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
5-(difluoromethyl)-6-iodo-4-methoxypyridine-3-carbonitrile
CID 130077171
5-(difluoromethyl)-6-iodo-4-nitropyridine-3-carbonyl chloride
CID 133100987
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
methyl 4-(difluoromethyl)-5-fluoro-6-iodopyridine-3-carboxylate
CID 130080326
methyl 5-(difluoromethyl)-4-methoxy-6-methylpyridine-3-carboxylate
CID 133099916
5-bromo-4-(difluoromethyl)-6-methylpyridine-3-carbonyl chloride
CID 130069553
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
ethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134663529

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride (CID 133101443) is 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride is COc1c(I)ncc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride?
The InChIKey is FLTQBAVZFPLDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2INO2/c1-15-5-4(7(10)11)3(6(9)14)2-13-8(5)12/h2,7H,1H3.
What are the key properties of 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride?
4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride has a molecular weight of 347.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carbonyl chloride is sourced from PubChem (CID 133101443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).