methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate

C13H17NO5 — CID 161362187

IUPACmethyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(O)CC(C)=O)cc(C)c1OC
InChIInChI=1S/C13H17NO5/c1-7-5-9(10(16)6-8(2)15)14-11(12(7)18-3)13(17)19-4/h5,10,16H,6H2,1-4H3
InChIKeyYNAFEMOTAOGTFU-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.20
Rot. Bonds5

About methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate

methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate (PubChem CID 161362187) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate
PubChem CID161362187
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Namemethyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(C(O)CC(C)=O)cc(C)c1OC
InChIInChI=1S/C13H17NO5/c1-7-5-9(10(16)6-8(2)15)14-11(12(7)18-3)13(17)19-4/h5,10,16H,6H2,1-4H3
InChIKeyYNAFEMOTAOGTFU-UHFFFAOYSA-N
XLogP1.20
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carboxylate
CID 133100411
6-(difluoromethyl)-3-methoxy-4-methylpyridine-2-carbonyl chloride
CID 133099514
methyl 3-bromo-6-(difluoromethyl)-4-methylpyridine-2-carboxylate
CID 130069488
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
methyl 3-hydroxy-4-(4-methoxy-3,5-dimethylanilino)butanoate
CID 115123244
methyl 3-(difluoromethyl)-6-fluoro-4-methylpyridine-2-carboxylate
CID 133105053
methyl 7-methylisoquinoline-1-carboxylate
CID 82572057
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
1-(2-fluoro-3,4-dimethoxy-5-methylphenyl)propan-2-one
CID 117325240
methyl 5-acetyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxylate
CID 106695998
4-[2-(4-methoxy-3,5-dimethylphenyl)ethylamino]butan-2-one
CID 115235985
methyl 4-amino-6-(2-fluoro-3-methoxy-4-methylphenyl)-3-methoxypyridine-2-carboxylate
CID 147624077

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate?
The IUPAC name of methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate (CID 161362187) is methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate is COC(=O)c1nc(C(O)CC(C)=O)cc(C)c1OC.
What is the InChIKey of methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate?
The InChIKey is YNAFEMOTAOGTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-7-5-9(10(16)6-8(2)15)14-11(12(7)18-3)13(17)19-4/h5,10,16H,6H2,1-4H3.
What are the key properties of methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate?
methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-hydroxy-3-oxobutyl)-3-methoxy-4-methylpyridine-2-carboxylate is sourced from PubChem (CID 161362187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).