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

C7H2ClF3INO — CID 118828941

IUPAC4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)cc(C(F)F)c1F
InChIInChI=1S/C7H2ClF3INO/c8-6(14)5-4(9)2(7(10)11)1-3(12)13-5/h1,7H
InChIKeyNYKXJFOPTHISES-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.14
Rot. Bonds2

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

4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride (PubChem CID 118828941) has the molecular formula C7H2ClF3INO and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
PubChem CID118828941
Molecular FormulaC7H2ClF3INO
Molecular Weight335.45 g/mol
Exact Mass334.88
IUPAC Name4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
SMILESO=C(Cl)c1nc(I)cc(C(F)F)c1F
InChIInChI=1S/C7H2ClF3INO/c8-6(14)5-4(9)2(7(10)11)1-3(12)13-5/h1,7H
InChIKeyNYKXJFOPTHISES-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

3-bromo-4-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 130068522
5-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride
CID 130080391
4-(difluoromethyl)-2-fluoro-6-iodopyridine-3-carbonyl chloride
CID 130080397
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
6-(difluoromethyl)-3-fluoro-4-iodopyridine-2-carbonyl chloride
CID 130080374
4-(difluoromethyl)-6-fluoro-3-iodopyridine-2-carbonyl chloride
CID 130080396
4-(difluoromethyl)-3,6-diiodopyridine-2-carboxamide
CID 118806851
2-(chloromethyl)-4-(difluoromethyl)-3-fluoro-6-iodopyridine
CID 118855239
4-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carbonyl chloride
CID 133101514
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
4-(difluoromethyl)-3-iodo-6-methylpyridine-2-carbonyl chloride
CID 118829473
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride (CID 118828941) is 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride is O=C(Cl)c1nc(I)cc(C(F)F)c1F.
What is the InChIKey of 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
The InChIKey is NYKXJFOPTHISES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3INO/c8-6(14)5-4(9)2(7(10)11)1-3(12)13-5/h1,7H.
What are the key properties of 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride?
4-(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 4-(difluoromethyl)-3-fluoro-6-iodopyridine-2-carbonyl chloride is sourced from PubChem (CID 118828941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).