4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride

C6H3ClF2INO3S — CID 118811667

IUPAC4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
SMILESO=c1cc(C(F)F)c(I)c(S(=O)(=O)Cl)[nH]1
InChIInChI=1S/C6H3ClF2INO3S/c7-15(13,14)6-4(10)2(5(8)9)1-3(12)11-6/h1,5H,(H,11,12)
InChIKeyATOIEDBUYUCECB-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.84
Rot. Bonds2

About 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride

4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride (PubChem CID 118811667) has the molecular formula C6H3ClF2INO3S and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
PubChem CID118811667
Molecular FormulaC6H3ClF2INO3S
Molecular Weight369.51 g/mol
Exact Mass368.85
IUPAC Name4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride
SMILESO=c1cc(C(F)F)c(I)c(S(=O)(=O)Cl)[nH]1
InChIInChI=1S/C6H3ClF2INO3S/c7-15(13,14)6-4(10)2(5(8)9)1-3(12)11-6/h1,5H,(H,11,12)
InChIKeyATOIEDBUYUCECB-UHFFFAOYSA-N
XLogP1.84
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonamide
CID 118818505
4-(difluoromethyl)-3,6-diiodopyridine-2-sulfonyl chloride
CID 118829623
4-(difluoromethyl)-2-iodo-6-oxo-1H-pyridine-3-carbaldehyde
CID 118829781
4-(difluoromethyl)-6-fluoro-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 118841024
6-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130072851
4-(difluoromethyl)-6-iodo-5-methoxy-1H-pyridin-2-one
CID 118812764
3-chloro-5-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130072878
6-bromo-4-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130110015
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-sulfonyl chloride
CID 130105085
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-sulfonyl chloride
CID 130105040

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride?
The IUPAC name of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride (CID 118811667) is 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride is O=c1cc(C(F)F)c(I)c(S(=O)(=O)Cl)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride?
The InChIKey is ATOIEDBUYUCECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2INO3S/c7-15(13,14)6-4(10)2(5(8)9)1-3(12)11-6/h1,5H,(H,11,12).
What are the key properties of 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride?
4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride has a molecular weight of 369.51 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-sulfonyl chloride is sourced from PubChem (CID 118811667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).