6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride

C7H2ClF3INO — CID 130080374

IUPAC6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(C(F)F)cc(I)c1F
InChIInChI=1S/C7H2ClF3INO/c8-6(14)5-4(9)2(12)1-3(13-5)7(10)11/h1,7H
InChIKeyWRHAZWCSMNIAIU-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.14
Rot. Bonds2

About 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride

6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride (PubChem CID 130080374) has the molecular formula C7H2ClF3INO and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
PubChem CID130080374
Molecular FormulaC7H2ClF3INO
Molecular Weight335.45 g/mol
Exact Mass334.88
IUPAC Name6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(C(F)F)cc(I)c1F
InChIInChI=1S/C7H2ClF3INO/c8-6(14)5-4(9)2(12)1-3(13-5)7(10)11/h1,7H
InChIKeyWRHAZWCSMNIAIU-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': '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
6-(difluoromethyl)-3-fluoro-2,4-diiodopyridine
CID 130100479
6-(difluoromethyl)-4-fluoropyridine-2-carbonyl chloride
CID 130096534
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130069571
methyl 6-(difluoromethyl)-3,4-diiodopyridine-2-carboxylate
CID 134664181
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
CID 130068532
[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
CID 118820195
6-(difluoromethyl)-4,5-diiodopyridine-2-carbonyl chloride
CID 118815357

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride (CID 130080374) is 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride is O=C(Cl)c1nc(C(F)F)cc(I)c1F.
What is the InChIKey of 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride?
The InChIKey is WRHAZWCSMNIAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3INO/c8-6(14)5-4(9)2(12)1-3(13-5)7(10)11/h1,7H.
What are the key properties of 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride?
6-(difluoromethyl)-3-fluoro-4-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 6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 130080374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).