methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate

C11H9N3O3 — CID 162402865

IUPACmethyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2ncccn2)c1
InChIInChI=1S/C11H9N3O3/c1-17-10(16)8-3-4-9(15)14(7-8)11-12-5-2-6-13-11/h2-7H,1H3
InChIKeyHMWYOEUOYLBPTD-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.41
Rot. Bonds2

About methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate

methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate (PubChem CID 162402865) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate
PubChem CID162402865
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Namemethyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2ncccn2)c1
InChIInChI=1S/C11H9N3O3/c1-17-10(16)8-3-4-9(15)14(7-8)11-12-5-2-6-13-11/h2-7H,1H3
InChIKeyHMWYOEUOYLBPTD-UHFFFAOYSA-N
XLogP0.41
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate?
The IUPAC name of methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate (CID 162402865) is methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate is COC(=O)c1ccc(=O)n(-c2ncccn2)c1.
What is the InChIKey of methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate?
The InChIKey is HMWYOEUOYLBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-17-10(16)8-3-4-9(15)14(7-8)11-12-5-2-6-13-11/h2-7H,1H3.
What are the key properties of methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate?
methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate has a molecular weight of 231.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1-pyrimidin-2-ylpyridine-3-carboxylate is sourced from PubChem (CID 162402865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).