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

C8H5N3O4 — CID 135454286

IUPAC2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(O)nc2ccccn12
InChIInChI=1S/C8H5N3O4/c12-7-6(11(14)15)8(13)10-4-2-1-3-5(10)9-7/h1-4,12H
InChIKeyYHQPOWUWWJGTAP-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.31
Rot. Bonds1

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

2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 135454286) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID135454286
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1c([N+](=O)[O-])c(O)nc2ccccn12
InChIInChI=1S/C8H5N3O4/c12-7-6(11(14)15)8(13)10-4-2-1-3-5(10)9-7/h1-4,12H
InChIKeyYHQPOWUWWJGTAP-UHFFFAOYSA-N
XLogP0.31
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 135454286) is 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one is O=c1c([N+](=O)[O-])c(O)nc2ccccn12.
What is the InChIKey of 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YHQPOWUWWJGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-7-6(11(14)15)8(13)10-4-2-1-3-5(10)9-7/h1-4,12H.
What are the key properties of 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 207.15 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135454286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).