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

C7H5F2IN2O2 — CID 130083110

IUPAC5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(I)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H5F2IN2O2/c8-5(9)2-1-12-7(14)3(4(2)10)6(11)13/h1,5H,(H2,11,13)(H,12,14)
InChIKeyWFLWGYLWRVBAMA-UHFFFAOYSA-N
MW314.03 g/mol
LogP1.02
Rot. Bonds2

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

5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 130083110) has the molecular formula C7H5F2IN2O2 and a molecular weight of 314.03 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
PubChem CID130083110
Molecular FormulaC7H5F2IN2O2
Molecular Weight314.03 g/mol
Exact Mass313.94
IUPAC Name5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(I)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C7H5F2IN2O2/c8-5(9)2-1-12-7(14)3(4(2)10)6(11)13/h1,5H,(H2,11,13)(H,12,14)
InChIKeyWFLWGYLWRVBAMA-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-5-(difluoromethyl)-4-iodo-1H-pyridin-2-one
CID 130110034
ethyl 5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridine-4-carboxylate
CID 133103615
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118839882
4-(bromomethyl)-5-(difluoromethyl)-3-iodo-1H-pyridin-2-one
CID 130082661
methyl 2-[5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridin-4-yl]acetate
CID 133103603
4-(difluoromethyl)-5-iodo-6-oxo-1H-pyridine-2-carboxamide
CID 118801169
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)-1H-pyridin-2-one
CID 130082742
methyl 3-(aminomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 133103037
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide (CID 130083110) is 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(I)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WFLWGYLWRVBAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IN2O2/c8-5(9)2-1-12-7(14)3(4(2)10)6(11)13/h1,5H,(H2,11,13)(H,12,14).
What are the key properties of 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide?
5-(difluoromethyl)-4-iodo-2-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 5-(difluoromethyl)-4-iodo-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130083110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).