4-methoxy-1-methyl-2-oxopyridine-3-carboxylate

C8H8NO4- — CID 25202556

IUPAC4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
SMILESCOc1ccn(C)c(=O)c1C(=O)[O-]
InChIInChI=1S/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12)/p-1
InChIKeyRYHGOZKWYMCMKG-UHFFFAOYSA-M
MW182.15 g/mol
LogP-1.24
Rot. Bonds2

About 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate

4-methoxy-1-methyl-2-oxopyridine-3-carboxylate (PubChem CID 25202556) has the molecular formula C8H8NO4- and a molecular weight of 182.15 g/mol. Its IUPAC name is 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
PubChem CID25202556
Molecular FormulaC8H8NO4-
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name4-methoxy-1-methyl-2-oxopyridine-3-carboxylate
SMILESCOc1ccn(C)c(=O)c1C(=O)[O-]
InChIInChI=1S/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12)/p-1
InChIKeyRYHGOZKWYMCMKG-UHFFFAOYSA-M
XLogP-1.24
TPSA71.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 5-1.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The IUPAC name of 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate (CID 25202556) is 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate is COc1ccn(C)c(=O)c1C(=O)[O-].
What is the InChIKey of 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
The InChIKey is RYHGOZKWYMCMKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12)/p-1.
What are the key properties of 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate?
4-methoxy-1-methyl-2-oxopyridine-3-carboxylate has a molecular weight of 182.15 g/mol, XLogP of -1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 25202556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).