methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate

C10H13NO4 — CID 78018913

IUPACmethyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(C)O)c1
InChIInChI=1S/C10H13NO4/c1-7(12)5-11-6-8(10(14)15-2)3-4-9(11)13/h3-4,6-7,12H,5H2,1-2H3
InChIKeyJAVYORPQAAVDJR-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.02
Rot. Bonds3

About methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate

methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate (PubChem CID 78018913) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
PubChem CID78018913
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(C)O)c1
InChIInChI=1S/C10H13NO4/c1-7(12)5-11-6-8(10(14)15-2)3-4-9(11)13/h3-4,6-7,12H,5H2,1-2H3
InChIKeyJAVYORPQAAVDJR-UHFFFAOYSA-N
XLogP0.02
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate (CID 78018913) is methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(C)O)c1.
What is the InChIKey of methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate?
The InChIKey is JAVYORPQAAVDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(12)5-11-6-8(10(14)15-2)3-4-9(11)13/h3-4,6-7,12H,5H2,1-2H3.
What are the key properties of methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate?
methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate has a molecular weight of 211.22 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 78018913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).