2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one

C15H11N3O5 — CID 56811205

IUPAC2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O5/c1-22-10-6-2-3-7-11(10)23-14-13(18(20)21)15(19)17-9-5-4-8-12(17)16-14/h2-9H,1H3
InChIKeyUVZCKTQNUZDAPT-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one

2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 56811205) has the molecular formula C15H11N3O5 and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID56811205
Molecular FormulaC15H11N3O5
Molecular Weight313.27 g/mol
Exact Mass313.07
IUPAC Name2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-]
InChIInChI=1S/C15H11N3O5/c1-22-10-6-2-3-7-11(10)23-14-13(18(20)21)15(19)17-9-5-4-8-12(17)16-14/h2-9H,1H3
InChIKeyUVZCKTQNUZDAPT-UHFFFAOYSA-N
XLogP2.40
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.40
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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Related Compounds

2-(4-Fluorophenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46633309
2-[2-(4-Fluorophenoxy)ethyl-methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46634712
3-Nitro-2-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrido[1,2-a]pyrimidin-4-one
CID 133287394
2-(4-Fluoro-3-methylphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133376772
2-[2-(2-Fluorophenoxy)ethyl-methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133798147
2-(3-Fluorophenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133908052
2-(2,4-Difluorophenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133958480
4-(2-methoxyphenoxy)-5-nitro-1H-pyrimidin-6-one
CID 22537518
2-[2,3-Dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 42884633
2-(4-Ethylphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 42885140
2-(2-Methylphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 42943711
3-Nitro-2-(4-pentylphenoxy)pyrido[1,2-a]pyrimidin-4-one
CID 42943719

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 56811205) is 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one is COc1ccccc1Oc1nc2ccccn2c(=O)c1[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UVZCKTQNUZDAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5/c1-22-10-6-2-3-7-11(10)23-14-13(18(20)21)15(19)17-9-5-4-8-12(17)16-14/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 313.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56811205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).