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

C7H3ClF2INO2 — CID 130082997

IUPAC3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(I)cc(=O)c1C(F)F
InChIInChI=1S/C7H3ClF2INO2/c8-6(14)5-4(7(9)10)2(13)1-3(11)12-5/h1,7H,(H,12,13)
InChIKeyPKFOLPGEJWAETF-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.30
Rot. Bonds2

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

3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride (PubChem CID 130082997) has the molecular formula C7H3ClF2INO2 and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride
PubChem CID130082997
Molecular FormulaC7H3ClF2INO2
Molecular Weight333.46 g/mol
Exact Mass332.89
IUPAC Name3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]c(I)cc(=O)c1C(F)F
InChIInChI=1S/C7H3ClF2INO2/c8-6(14)5-4(7(9)10)2(13)1-3(11)12-5/h1,7H,(H,12,13)
InChIKeyPKFOLPGEJWAETF-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride (CID 130082997) is 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1[nH]c(I)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride?
The InChIKey is PKFOLPGEJWAETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF2INO2/c8-6(14)5-4(7(9)10)2(13)1-3(11)12-5/h1,7H,(H,12,13).
What are the key properties of 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride?
3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-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 3-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 130082997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).