ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate

C11H17NO4 — CID 145007777

IUPACethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate
SMILESCC.COC(=O)c1cc(OC)cc(=O)n1C
InChIInChI=1S/C9H11NO4.C2H6/c1-10-7(9(12)14-3)4-6(13-2)5-8(10)11;1-2/h4-5H,1-3H3;1-2H3
InChIKeyURRHHNGCEPHVGP-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.21
Rot. Bonds2

About ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate

ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate (PubChem CID 145007777) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate
PubChem CID145007777
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Nameethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate
SMILESCC.COC(=O)c1cc(OC)cc(=O)n1C
InChIInChI=1S/C9H11NO4.C2H6/c1-10-7(9(12)14-3)4-6(13-2)5-8(10)11;1-2/h4-5H,1-3H3;1-2H3
InChIKeyURRHHNGCEPHVGP-UHFFFAOYSA-N
XLogP1.21
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylate
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CID 171784129

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate?
The IUPAC name of ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate (CID 145007777) is ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate.
What is the SMILES notation for ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate?
The canonical SMILES for ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate is CC.COC(=O)c1cc(OC)cc(=O)n1C.
What is the InChIKey of ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate?
The InChIKey is URRHHNGCEPHVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4.C2H6/c1-10-7(9(12)14-3)4-6(13-2)5-8(10)11;1-2/h4-5H,1-3H3;1-2H3.
What are the key properties of ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate?
ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate has a molecular weight of 227.26 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-methoxy-1-methyl-6-oxopyridine-2-carboxylate is sourced from PubChem (CID 145007777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).