2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid

C7H4F2INO3 — CID 118814891

IUPAC2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(I)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4F2INO3/c8-6(9)5-4(7(13)14)2(10)1-3(12)11-5/h1,6H,(H,11,12)(H,13,14)
InChIKeyLHRREDTXVUXFRF-UHFFFAOYSA-N
MW315.01 g/mol
LogP1.62
Rot. Bonds2

About 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid

2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118814891) has the molecular formula C7H4F2INO3 and a molecular weight of 315.01 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118814891
Molecular FormulaC7H4F2INO3
Molecular Weight315.01 g/mol
Exact Mass314.92
IUPAC Name2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(I)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C7H4F2INO3/c8-6(9)5-4(7(13)14)2(10)1-3(12)11-5/h1,6H,(H,11,12)(H,13,14)
InChIKeyLHRREDTXVUXFRF-UHFFFAOYSA-N
XLogP1.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.01
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid (CID 118814891) is 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(I)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LHRREDTXVUXFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO3/c8-6(9)5-4(7(13)14)2(10)1-3(12)11-5/h1,6H,(H,11,12)(H,13,14).
What are the key properties of 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid?
2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 315.01 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-iodo-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118814891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).