2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride

C7H3ClF2INO2 — CID 118815340

IUPAC2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)[nH]cc(I)c1=O
InChIInChI=1S/C7H3ClF2INO2/c8-6(14)3-4(7(9)10)12-1-2(11)5(3)13/h1,7H,(H,12,13)
InChIKeyHSKUNZFFFLBFET-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.30
Rot. Bonds2

About 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride

2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118815340) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118815340
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(C(F)F)[nH]cc(I)c1=O
InChIInChI=1S/C7H3ClF2INO2/c8-6(14)3-4(7(9)10)12-1-2(11)5(3)13/h1,7H,(H,12,13)
InChIKeyHSKUNZFFFLBFET-UHFFFAOYSA-N
XLogP2.30
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
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

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118854723
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118803456
5-(difluoromethyl)-2-methyl-4-oxo-1H-pyridine-3-carbonyl chloride
CID 130084068
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
CID 118810426
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
5-amino-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099970
2-chloro-3,5-diiodo-1H-pyridin-4-one
CID 135303894
methyl 2-(difluoromethyl)-4-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 133102257
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948
3-(difluoromethyl)-5-iodo-2-(trifluoromethyl)-1H-pyridin-4-one
CID 130082730

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride (CID 118815340) is 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c(C(F)F)[nH]cc(I)c1=O.
What is the InChIKey of 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is HSKUNZFFFLBFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-6(14)3-4(7(9)10)12-1-2(11)5(3)13/h1,7H,(H,12,13).
What are the key properties of 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride has a molecular weight of 333.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118815340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).