3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one

C13H8N4O4 — CID 42943726

IUPAC3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(Oc2cccnc2)nc2ccccn12
InChIInChI=1S/C13H8N4O4/c18-13-11(17(19)20)12(21-9-4-3-6-14-8-9)15-10-5-1-2-7-16(10)13/h1-8H
InChIKeyATURRAXSRVUZBV-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.79
Rot. Bonds3

About 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one

3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 42943726) has the molecular formula C13H8N4O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one
PubChem CID42943726
Molecular FormulaC13H8N4O4
Molecular Weight284.23 g/mol
Exact Mass284.05
IUPAC Name3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(Oc2cccnc2)nc2ccccn12
InChIInChI=1S/C13H8N4O4/c18-13-11(17(19)20)12(21-9-4-3-6-14-8-9)15-10-5-1-2-7-16(10)13/h1-8H
InChIKeyATURRAXSRVUZBV-UHFFFAOYSA-N
XLogP1.79
TPSA99.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one (CID 42943726) is 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one is O=c1c([N+](=O)[O-])c(Oc2cccnc2)nc2ccccn12.
What is the InChIKey of 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ATURRAXSRVUZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O4/c18-13-11(17(19)20)12(21-9-4-3-6-14-8-9)15-10-5-1-2-7-16(10)13/h1-8H.
What are the key properties of 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one?
3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 284.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-pyridin-3-yloxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 42943726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).