methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate

C8H9NO3 — CID 119084145

IUPACmethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]cc(C)c1=O
InChIInChI=1S/C8H9NO3/c1-5-3-9-4-6(7(5)10)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyJEAVVLMOIVTYKR-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.47
Rot. Bonds1

About methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate

methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 119084145) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
PubChem CID119084145
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]cc(C)c1=O
InChIInChI=1S/C8H9NO3/c1-5-3-9-4-6(7(5)10)8(11)12-2/h3-4H,1-2H3,(H,9,10)
InChIKeyJEAVVLMOIVTYKR-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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Related Compounds

ethyl 4-methyl-1H-pyrrole-3-carboxylate;methyl 4-methyl-1H-pyrrole-3-carboxylate
CID 70398310
methyl 4-oxo-5-phenyl-1H-pyridine-3-carboxylate
CID 10443789
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
methyl 4-(1-aminoethyl)-1H-pyrrole-3-carboxylate
CID 130002336
methyl 2H-isoindole-4-carboxylate
CID 71773027
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
CID 90741354
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 15441123
methyl 5,7-difluoro-4-oxo-1H-quinoline-3-carboxylate
CID 102614566
methyl 7-methyl-1,2-benzothiazole-4-carboxylate
CID 130064177
methyl 8-methyl-4-oxo-1H-1,7-naphthyridine-3-carboxylate
CID 102941635
methyl 5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-3-carboxylate
CID 130110472

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate (CID 119084145) is methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]cc(C)c1=O.
What is the InChIKey of methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is JEAVVLMOIVTYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-3-9-4-6(7(5)10)8(11)12-2/h3-4H,1-2H3,(H,9,10).
What are the key properties of methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate?
methyl 5-methyl-4-oxo-1H-pyridine-3-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 5-methyl-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 119084145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).