methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate

C12H11N3O4 — CID 166563655

IUPACmethyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2cnc(OC)nc2)c1
InChIInChI=1S/C12H11N3O4/c1-18-11(17)8-3-4-10(16)15(7-8)9-5-13-12(19-2)14-6-9/h3-7H,1-2H3
InChIKeyPEDIYFCWVMKKAM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.42
Rot. Bonds3

About methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate

methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate (PubChem CID 166563655) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate
PubChem CID166563655
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Namemethyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2cnc(OC)nc2)c1
InChIInChI=1S/C12H11N3O4/c1-18-11(17)8-3-4-10(16)15(7-8)9-5-13-12(19-2)14-6-9/h3-7H,1-2H3
InChIKeyPEDIYFCWVMKKAM-UHFFFAOYSA-N
XLogP0.42
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate (CID 166563655) is methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(-c2cnc(OC)nc2)c1.
What is the InChIKey of methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate?
The InChIKey is PEDIYFCWVMKKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-18-11(17)8-3-4-10(16)15(7-8)9-5-13-12(19-2)14-6-9/h3-7H,1-2H3.
What are the key properties of methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate?
methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate has a molecular weight of 261.24 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxypyrimidin-5-yl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 166563655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).