5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride

C7H2ClF3INO — CID 130080391

IUPAC5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)c(C(F)F)cc1F
InChIInChI=1S/C7H2ClF3INO/c8-5(14)4-3(9)1-2(6(10)11)7(12)13-4/h1,6H
InChIKeyVRIPGKFGSQVTIA-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.14
Rot. Bonds2

About 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride

5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride (PubChem CID 130080391) has the molecular formula C7H2ClF3INO and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
PubChem CID130080391
Molecular FormulaC7H2ClF3INO
Molecular Weight335.45 g/mol
Exact Mass334.88
IUPAC Name5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)c(C(F)F)cc1F
InChIInChI=1S/C7H2ClF3INO/c8-5(14)4-3(9)1-2(6(10)11)7(12)13-4/h1,6H
InChIKeyVRIPGKFGSQVTIA-UHFFFAOYSA-N
XLogP3.14
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.14
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

4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 118828941
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
3-(difluoromethyl)-5-fluoro-6-iodopyridine-2-carboxylic acid
CID 130080267
3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
4-(difluoromethyl)-2-fluoro-6-iodopyridine-3-carbonyl chloride
CID 130080397
5-(difluoromethyl)-6-iodo-2-methylpyridine-3-carbonyl chloride
CID 130086366
6-cyano-3-(difluoromethyl)-5-fluoropyridine-2-carbonyl chloride
CID 134675135
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
5-(difluoromethyl)-6-fluoro-3-hydroxypyridine-2-carbonyl chloride
CID 130079740

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride (CID 130080391) is 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride is O=C(Cl)c1nc(I)c(C(F)F)cc1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
The InChIKey is VRIPGKFGSQVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3INO/c8-5(14)4-3(9)1-2(6(10)11)7(12)13-4/h1,6H.
What are the key properties of 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride has a molecular weight of 335.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 130080391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).