3-iodo-5-nitro-1H-pyridin-2-one

C5H3IN2O3 — CID 11780423

IUPAC3-iodo-5-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc([N+](=O)[O-])cc1I
InChIInChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)
InChIKeyDPHDSYLWPVMRTM-UHFFFAOYSA-N
MW265.99 g/mol
LogP0.89
Rot. Bonds1

About 3-iodo-5-nitro-1H-pyridin-2-one

3-iodo-5-nitro-1H-pyridin-2-one (PubChem CID 11780423) has the molecular formula C5H3IN2O3 and a molecular weight of 265.99 g/mol. Its IUPAC name is 3-iodo-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-iodo-5-nitro-1H-pyridin-2-one
PubChem CID11780423
Molecular FormulaC5H3IN2O3
Molecular Weight265.99 g/mol
Exact Mass265.92
IUPAC Name3-iodo-5-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc([N+](=O)[O-])cc1I
InChIInChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9)
InChIKeyDPHDSYLWPVMRTM-UHFFFAOYSA-N
XLogP0.89
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(dihydroxymethyl)-5-nitro-1H-pyridin-2-one
CID 118586009
2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
CID 83814946
5-nitro-3-(3-sulfanylprop-1-ynyl)-1H-pyridin-2-one
CID 169486924
2-chloro-4-nitro-1H-pyrrole
CID 21459528
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
3-[(1R)-1-(methylamino)ethyl]-5-nitro-1H-pyridin-2-one
CID 131140729
3-[(1S)-1-aminopropyl]-5-nitro-1H-pyridin-2-one
CID 130644884
4-chloro-5-iodo-3-nitro-1H-pyridin-2-one
CID 137462526
3-(4-chlorobut-1-enyl)-5-nitro-1H-pyridin-2-one
CID 170499502
3-(3-bromo-1,2-dihydroxypropyl)-5-nitro-1H-pyridin-2-one
CID 171860383
2-fluoro-6-iodo-4-nitrophenol
CID 104506154
2,6-diiodo-4-nitrobenzaldehyde
CID 21468410

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-nitro-1H-pyridin-2-one?
The IUPAC name of 3-iodo-5-nitro-1H-pyridin-2-one (CID 11780423) is 3-iodo-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 3-iodo-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 3-iodo-5-nitro-1H-pyridin-2-one is O=c1[nH]cc([N+](=O)[O-])cc1I.
What is the InChIKey of 3-iodo-5-nitro-1H-pyridin-2-one?
The InChIKey is DPHDSYLWPVMRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O3/c6-4-1-3(8(10)11)2-7-5(4)9/h1-2H,(H,7,9).
What are the key properties of 3-iodo-5-nitro-1H-pyridin-2-one?
3-iodo-5-nitro-1H-pyridin-2-one has a molecular weight of 265.99 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 11780423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).