methyl 1-methyl-6-oxopyridine-3-carboxylate

C8H9NO3 — CID 597449

IUPACmethyl 1-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C8H9NO3/c1-9-5-6(8(11)12-2)3-4-7(9)10/h3-5H,1-2H3
InChIKeyFXXHEBJCBBMISD-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.17
Rot. Bonds1

About methyl 1-methyl-6-oxopyridine-3-carboxylate

methyl 1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 597449) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-6-oxopyridine-3-carboxylate
PubChem CID597449
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 1-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C8H9NO3/c1-9-5-6(8(11)12-2)3-4-7(9)10/h3-5H,1-2H3
InChIKeyFXXHEBJCBBMISD-UHFFFAOYSA-N
XLogP0.17
TPSA48.30 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 ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-hydroxynicotinate
CID 295861
Ethyl 4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 11615451
Methyl 5-bromo-1-(2-methylpropyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 660987
Methyl 6-oxo-1,6-dihydropyridine-3-carboxylate
CID 416343
Methyl 1,6-dihydro-5-methyl-6-oxo-3-pyridinecarboxylate
CID 12387731
Nicotinic acid, 1,6-dihydro-1-methyl-6-oxo-, ethyl ester
CID 98785
Methyl 4-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 46223842
(e)-2-Methyl-3-(2-oxo-2h-pyridin-1-yl)-acrylic acid methyl ester
CID 6390670
Methyl 6-oxo-1-(prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxylate
CID 165877868
Methyl 1-methyl-6-oxo-5-(trifluoromethyl)pyridine-3-carboxylate
CID 138966349
Methyl 1,2-dihydro-1-methyl-4-pyridinecarboxylate
CID 45090140
Methyl 1-(cyanomethyl)-5-fluoro-6-oxopyridine-3-carboxylate
CID 14836999

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-methyl-6-oxopyridine-3-carboxylate (CID 597449) is methyl 1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-methyl-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of methyl 1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is FXXHEBJCBBMISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-9-5-6(8(11)12-2)3-4-7(9)10/h3-5H,1-2H3.
What are the key properties of methyl 1-methyl-6-oxopyridine-3-carboxylate?
methyl 1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 167.16 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 597449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).