(3R)-3-nitro-3H-pyridin-2-one

C5H4N2O3 — CID 98055501

IUPAC(3R)-3-nitro-3H-pyridin-2-one
SMILESO=C1N=CC=C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-4H/t4-/m1/s1
InChIKeyJKNMOMXKEVXBKT-SCSAIBSYSA-N
MW140.10 g/mol
LogP-0.20
Rot. Bonds1

About (3R)-3-nitro-3H-pyridin-2-one

(3R)-3-nitro-3H-pyridin-2-one (PubChem CID 98055501) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is (3R)-3-nitro-3H-pyridin-2-one.

Molecular Properties

Compound Name(3R)-3-nitro-3H-pyridin-2-one
PubChem CID98055501
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name(3R)-3-nitro-3H-pyridin-2-one
SMILESO=C1N=CC=C[C@H]1[N+](=O)[O-]
InChIInChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-4H/t4-/m1/s1
InChIKeyJKNMOMXKEVXBKT-SCSAIBSYSA-N
XLogP-0.20
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-nitro-3H-pyridin-2-one?
The IUPAC name of (3R)-3-nitro-3H-pyridin-2-one (CID 98055501) is (3R)-3-nitro-3H-pyridin-2-one.
What is the SMILES notation for (3R)-3-nitro-3H-pyridin-2-one?
The canonical SMILES for (3R)-3-nitro-3H-pyridin-2-one is O=C1N=CC=C[C@H]1[N+](=O)[O-].
What is the InChIKey of (3R)-3-nitro-3H-pyridin-2-one?
The InChIKey is JKNMOMXKEVXBKT-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-5-4(7(9)10)2-1-3-6-5/h1-4H/t4-/m1/s1.
What are the key properties of (3R)-3-nitro-3H-pyridin-2-one?
(3R)-3-nitro-3H-pyridin-2-one has a molecular weight of 140.10 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-nitro-3H-pyridin-2-one is sourced from PubChem (CID 98055501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).