methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

C8H9NO3 — CID 14117784

IUPACmethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-5-3-6(8(11)12-2)4-7(10)9-5/h3-4H,1-2H3,(H,9,10)
InChIKeyUAWGJLZPZYXSBO-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.47
Rot. Bonds1

About methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate

methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (PubChem CID 14117784) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
PubChem CID14117784
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-5-3-6(8(11)12-2)4-7(10)9-5/h3-4H,1-2H3,(H,9,10)
InChIKeyUAWGJLZPZYXSBO-UHFFFAOYSA-N
XLogP0.47
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate (CID 14117784) is methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(C)[nH]c(=O)c1.
What is the InChIKey of methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
The InChIKey is UAWGJLZPZYXSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-6(8(11)12-2)4-7(10)9-5/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate?
methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 14117784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).