2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one

C15H12N4O4 — CID 71979560

IUPAC2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc(OCc2cc(=O)n3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O4/c1-10-6-12(19(21)22)15(16-8-10)23-9-11-7-14(20)18-5-3-2-4-13(18)17-11/h2-8H,9H2,1H3
InChIKeyKCFNCUSRRJGIEW-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.89
Rot. Bonds4

About 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one

2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 71979560) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID71979560
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc(OCc2cc(=O)n3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12N4O4/c1-10-6-12(19(21)22)15(16-8-10)23-9-11-7-14(20)18-5-3-2-4-13(18)17-11/h2-8H,9H2,1H3
InChIKeyKCFNCUSRRJGIEW-UHFFFAOYSA-N
XLogP1.89
TPSA99.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.89
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 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one (CID 71979560) is 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cnc(OCc2cc(=O)n3ccccc3n2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KCFNCUSRRJGIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c1-10-6-12(19(21)22)15(16-8-10)23-9-11-7-14(20)18-5-3-2-4-13(18)17-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-nitro-2-pyridinyl)oxymethyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71979560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).