2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one

C9H7N3O5 — CID 136636029

IUPAC2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c([N+](=O)[O-])c(O)nc12
InChIInChI=1S/C9H7N3O5/c1-17-5-3-2-4-11-7(5)10-8(13)6(9(11)14)12(15)16/h2-4,13H,1H3
InChIKeyJPNLJKVBLJESSI-UHFFFAOYSA-N
MW237.17 g/mol
LogP0.32
Rot. Bonds2

About 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one

2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 136636029) has the molecular formula C9H7N3O5 and a molecular weight of 237.17 g/mol. Its IUPAC name is 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID136636029
Molecular FormulaC9H7N3O5
Molecular Weight237.17 g/mol
Exact Mass237.04
IUPAC Name2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccn2c(=O)c([N+](=O)[O-])c(O)nc12
InChIInChI=1S/C9H7N3O5/c1-17-5-3-2-4-11-7(5)10-8(13)6(9(11)14)12(15)16/h2-4,13H,1H3
InChIKeyJPNLJKVBLJESSI-UHFFFAOYSA-N
XLogP0.32
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
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 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 136636029) is 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one is COc1cccn2c(=O)c([N+](=O)[O-])c(O)nc12.
What is the InChIKey of 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JPNLJKVBLJESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O5/c1-17-5-3-2-4-11-7(5)10-8(13)6(9(11)14)12(15)16/h2-4,13H,1H3.
What are the key properties of 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 237.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-9-methoxy-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 136636029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).