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

C7H3ClF2INO2 — CID 118854723

IUPAC6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(C(F)F)c(I)c1=O
InChIInChI=1S/C7H3ClF2INO2/c8-6(14)2-1-12-4(7(9)10)3(11)5(2)13/h1,7H,(H,12,13)
InChIKeyACALUMQOADZZPD-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.30
Rot. Bonds2

About 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride

6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride (PubChem CID 118854723) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
PubChem CID118854723
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c[nH]c(C(F)F)c(I)c1=O
InChIInChI=1S/C7H3ClF2INO2/c8-6(14)2-1-12-4(7(9)10)3(11)5(2)13/h1,7H,(H,12,13)
InChIKeyACALUMQOADZZPD-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

2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118815340
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-sulfonyl chloride
CID 118804024
6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonitrile
CID 130076424
5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 130072819
6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridine-3-carboxamide
CID 118848607
2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118837824
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118803456
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
6-(difluoromethyl)-5-methyl-2-oxo-1H-pyridine-3-carbonyl chloride
CID 118814881
methyl 5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110472
2-(difluoromethyl)-5-hydroxy-4-oxo-1H-pyridine-3-carbaldehyde
CID 118809039
2-[6-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-3-yl]acetic acid
CID 118842948

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
The IUPAC name of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride (CID 118854723) is 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride is O=C(Cl)c1c[nH]c(C(F)F)c(I)c1=O.
What is the InChIKey of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
The InChIKey is ACALUMQOADZZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-6(14)2-1-12-4(7(9)10)3(11)5(2)13/h1,7H,(H,12,13).
What are the key properties of 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride?
6-(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 6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride is sourced from PubChem (CID 118854723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).