1-(5-nitro-2-pyridinyl)pyridin-2-one

C10H7N3O3 — CID 4556084

IUPAC1-(5-nitro-2-pyridinyl)pyridin-2-one
SMILESO=c1ccccn1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H7N3O3/c14-10-3-1-2-6-12(10)9-5-4-8(7-11-9)13(15)16/h1-7H
InChIKeyHKYLZFISOYAMLA-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.14
Rot. Bonds2

About 1-(5-nitro-2-pyridinyl)pyridin-2-one

1-(5-nitro-2-pyridinyl)pyridin-2-one (PubChem CID 4556084) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 1-(5-nitro-2-pyridinyl)pyridin-2-one.

Molecular Properties

Compound Name1-(5-nitro-2-pyridinyl)pyridin-2-one
PubChem CID4556084
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name1-(5-nitro-2-pyridinyl)pyridin-2-one
SMILESO=c1ccccn1-c1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C10H7N3O3/c14-10-3-1-2-6-12(10)9-5-4-8(7-11-9)13(15)16/h1-7H
InChIKeyHKYLZFISOYAMLA-UHFFFAOYSA-N
XLogP1.14
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(5-nitro-2-pyridinyl)pyridin-2-one?
The IUPAC name of 1-(5-nitro-2-pyridinyl)pyridin-2-one (CID 4556084) is 1-(5-nitro-2-pyridinyl)pyridin-2-one.
What is the SMILES notation for 1-(5-nitro-2-pyridinyl)pyridin-2-one?
The canonical SMILES for 1-(5-nitro-2-pyridinyl)pyridin-2-one is O=c1ccccn1-c1ccc([N+](=O)[O-])cn1.
What is the InChIKey of 1-(5-nitro-2-pyridinyl)pyridin-2-one?
The InChIKey is HKYLZFISOYAMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-10-3-1-2-6-12(10)9-5-4-8(7-11-9)13(15)16/h1-7H.
What are the key properties of 1-(5-nitro-2-pyridinyl)pyridin-2-one?
1-(5-nitro-2-pyridinyl)pyridin-2-one has a molecular weight of 217.18 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitro-2-pyridinyl)pyridin-2-one is sourced from PubChem (CID 4556084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).