3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide

C6H4ClIN2O2 — CID 170359887

IUPAC3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c(=O)c(I)cc1Cl
InChIInChI=1S/C6H4ClIN2O2/c7-2-1-3(8)6(12)10-4(2)5(9)11/h1H,(H2,9,11)(H,10,12)
InChIKeyWDUPXSRBCOSJOH-UHFFFAOYSA-N
MW298.47 g/mol
LogP0.73
Rot. Bonds1

About 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide

3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 170359887) has the molecular formula C6H4ClIN2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide
PubChem CID170359887
Molecular FormulaC6H4ClIN2O2
Molecular Weight298.47 g/mol
Exact Mass297.90
IUPAC Name3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide
SMILESNC(=O)c1[nH]c(=O)c(I)cc1Cl
InChIInChI=1S/C6H4ClIN2O2/c7-2-1-3(8)6(12)10-4(2)5(9)11/h1H,(H2,9,11)(H,10,12)
InChIKeyWDUPXSRBCOSJOH-UHFFFAOYSA-N
XLogP0.73
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 50.73
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 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide (CID 170359887) is 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide is NC(=O)c1[nH]c(=O)c(I)cc1Cl.
What is the InChIKey of 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is WDUPXSRBCOSJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN2O2/c7-2-1-3(8)6(12)10-4(2)5(9)11/h1H,(H2,9,11)(H,10,12).
What are the key properties of 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide?
3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 298.47 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-iodo-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 170359887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).