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

C5H2ClIN2O3 — CID 137462526

IUPAC4-chloro-5-iodo-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(I)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C5H2ClIN2O3/c6-3-2(7)1-8-5(10)4(3)9(11)12/h1H,(H,8,10)
InChIKeyVJWPUBQVUGCZGO-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.54
Rot. Bonds1

About 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one

4-chloro-5-iodo-3-nitro-1H-pyridin-2-one (PubChem CID 137462526) has the molecular formula C5H2ClIN2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-5-iodo-3-nitro-1H-pyridin-2-one
PubChem CID137462526
Molecular FormulaC5H2ClIN2O3
Molecular Weight300.44 g/mol
Exact Mass299.88
IUPAC Name4-chloro-5-iodo-3-nitro-1H-pyridin-2-one
SMILESO=c1[nH]cc(I)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C5H2ClIN2O3/c6-3-2(7)1-8-5(10)4(3)9(11)12/h1H,(H,8,10)
InChIKeyVJWPUBQVUGCZGO-UHFFFAOYSA-N
XLogP1.54
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.54
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

4-iodo-3-nitro-1H-pyridin-2-one
CID 177198093
3-iodo-5-nitro-1H-pyridin-2-one
CID 11780423
5-(difluoromethyl)-3-iodo-4-nitro-1H-pyridin-2-one
CID 130082568
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
5-amino-4-(difluoromethyl)-3-nitro-1H-pyridin-2-one
CID 130104623
4-ethyl-5-fluoro-3-nitro-1H-pyridin-2-one
CID 154282508
3-nitro-5-(2,3,4,5,6-pentachlorophenyl)-1H-pyridin-2-one
CID 133092130
5-bromo-4-cyclopropyl-3-nitro-1H-pyridin-2-one
CID 170324538
8-bromo-7-chloro-4-hydroxy-6-iodo-3-nitro-1H-quinolin-2-one
CID 158497280
4-tert-butyl-5-nitro-6-oxo-1H-pyridine-3-carbonitrile
CID 154126348
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbaldehyde
CID 130084427
5-(difluoromethyl)-3-nitro-4-(trifluoromethyl)-1H-pyridin-2-one
CID 133103318

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one?
The IUPAC name of 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one (CID 137462526) is 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one is O=c1[nH]cc(I)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one?
The InChIKey is VJWPUBQVUGCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN2O3/c6-3-2(7)1-8-5(10)4(3)9(11)12/h1H,(H,8,10).
What are the key properties of 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one?
4-chloro-5-iodo-3-nitro-1H-pyridin-2-one has a molecular weight of 300.44 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-3-nitro-1H-pyridin-2-one is sourced from PubChem (CID 137462526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).