3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one

C9H9N3O5 — CID 63106058

IUPAC3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one
SMILESO=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(O)C1
InChIInChI=1S/C9H9N3O5/c13-6-3-11(4-6)9(15)7-1-5(12(16)17)2-10-8(7)14/h1-2,6,13H,3-4H2,(H,10,14)
InChIKeyVPBJLVOQQRDKBY-UHFFFAOYSA-N
MW239.19 g/mol
LogP-0.90
Rot. Bonds2

About 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one

3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one (PubChem CID 63106058) has the molecular formula C9H9N3O5 and a molecular weight of 239.19 g/mol. Its IUPAC name is 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one
PubChem CID63106058
Molecular FormulaC9H9N3O5
Molecular Weight239.19 g/mol
Exact Mass239.05
IUPAC Name3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one
SMILESO=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(O)C1
InChIInChI=1S/C9H9N3O5/c13-6-3-11(4-6)9(15)7-1-5(12(16)17)2-10-8(7)14/h1-2,6,13H,3-4H2,(H,10,14)
InChIKeyVPBJLVOQQRDKBY-UHFFFAOYSA-N
XLogP-0.90
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxy-4-methylpiperidine-1-carbonyl)-5-nitro-1H-pyridin-2-one
CID 80719219
(2,3-dichloro-5-nitrophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107191715
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297
(2-chloro-5-nitrophenyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79410094
N-[(2-hydroxycyclohexyl)methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 64929275
(3-hydroxyazetidin-1-yl)-(3-iodo-5-nitrophenyl)methanone
CID 75437389
N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 60715827
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 106364548
(2S,4R)-4-hydroxy-1-(4-nitro-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 28741566
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 43409764
2-(5-nitro-2-oxo-1H-pyridin-3-yl)acetic acid
CID 83814946

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one?
The IUPAC name of 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one (CID 63106058) is 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one is O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC(O)C1.
What is the InChIKey of 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one?
The InChIKey is VPBJLVOQQRDKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O5/c13-6-3-11(4-6)9(15)7-1-5(12(16)17)2-10-8(7)14/h1-2,6,13H,3-4H2,(H,10,14).
What are the key properties of 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one?
3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one has a molecular weight of 239.19 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyazetidine-1-carbonyl)-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 63106058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).