methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate

C8H9NO3 — CID 158230749

IUPACmethyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN=C(C)C(=O)C1
InChIInChI=1S/C8H9NO3/c1-5-7(10)3-6(4-9-5)8(11)12-2/h4H,3H2,1-2H3
InChIKeyGEIVHSDXAHTLFY-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.48
Rot. Bonds1

About methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate

methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate (PubChem CID 158230749) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate
PubChem CID158230749
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate
SMILESCOC(=O)C1=CN=C(C)C(=O)C1
InChIInChI=1S/C8H9NO3/c1-5-7(10)3-6(4-9-5)8(11)12-2/h4H,3H2,1-2H3
InChIKeyGEIVHSDXAHTLFY-UHFFFAOYSA-N
XLogP0.48
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate (CID 158230749) is methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate is COC(=O)C1=CN=C(C)C(=O)C1.
What is the InChIKey of methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate?
The InChIKey is GEIVHSDXAHTLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-7(10)3-6(4-9-5)8(11)12-2/h4H,3H2,1-2H3.
What are the key properties of methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate?
methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-5-oxo-4H-pyridine-3-carboxylate is sourced from PubChem (CID 158230749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).