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

C7H5F2IN2O2 — CID 118826057

IUPAC2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)[nH]c(I)cc1=O
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(7(11)14)2(13)1-3(10)12-5/h1,6H,(H2,11,14)(H,12,13)
InChIKeyMVRDWRONMXAEDI-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.02
Rot. Bonds2

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

2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 118826057) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
PubChem CID118826057
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(C(F)F)[nH]c(I)cc1=O
InChIInChI=1S/C7H5F2IN2O2/c8-6(9)5-4(7(11)14)2(13)1-3(10)12-5/h1,6H,(H2,11,14)(H,12,13)
InChIKeyMVRDWRONMXAEDI-UHFFFAOYSA-N
XLogP1.02
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.03
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxylate
CID 130082897
2-(difluoromethyl)-6-iodo-3-nitro-1H-pyridin-4-one
CID 118803464
2-chloro-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 119005211
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
2-(difluoromethyl)-3-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 118820480
2-(aminomethyl)-3-(difluoromethyl)-6-iodo-1H-pyridin-4-one
CID 118819770
3-(difluoromethyl)-6-fluoro-4-oxo-1H-pyridine-2-carboxamide
CID 130079843
methyl 6-bromo-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110469
methyl 6-chloro-2-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130072717
4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-2-carboxamide
CID 118801169
5-bromo-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 130110697
5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
CID 130083110

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide (CID 118826057) is 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(C(F)F)[nH]c(I)cc1=O.
What is the InChIKey of 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is MVRDWRONMXAEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-6(9)5-4(7(11)14)2(13)1-3(10)12-5/h1,6H,(H2,11,14)(H,12,13).
What are the key properties of 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide?
2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 314.03 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-iodo-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 118826057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).