ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate

C12H15NO6 — CID 171864733

IUPACethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(O)C(O)C(=O)OC)n1
InChIInChI=1S/C12H15NO6/c1-3-19-11(16)8-6-4-5-7(13-8)9(14)10(15)12(17)18-2/h4-6,9-10,14-15H,3H2,1-2H3
InChIKeyPDJSOJYWXCGHEL-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.17
Rot. Bonds5

About ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate

ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate (PubChem CID 171864733) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
PubChem CID171864733
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Nameethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(C(O)C(O)C(=O)OC)n1
InChIInChI=1S/C12H15NO6/c1-3-19-11(16)8-6-4-5-7(13-8)9(14)10(15)12(17)18-2/h4-6,9-10,14-15H,3H2,1-2H3
InChIKeyPDJSOJYWXCGHEL-UHFFFAOYSA-N
XLogP-0.17
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-ethoxycarbonyl-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878354
ethyl 6-(4-bromo-1,2-dihydroxybutyl)pyridine-2-carboxylate
CID 171892688
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074
ethyl 6-[hydroxy-(2-hydroxyphenyl)methyl]pyridine-2-carboxylate
CID 135012429
ethyl 6-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-2-carboxylate
CID 171885520
ethyl 2-(1,2-dihydroxy-3-methoxy-3-oxopropyl)-1,3-thiazole-4-carboxylate
CID 171864491
ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl 6-[2,3-dihydro-1,3-thiazol-4-yl(hydroxy)methyl]pyridine-2-carboxylate
CID 162531782
diethoxymethoxyethane;ethyl 6-(diethoxymethyl)pyridine-2-carboxylate;ethyl 6-formylpyridine-2-carboxylate
CID 162141266
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate (CID 171864733) is ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate is CCOC(=O)c1cccc(C(O)C(O)C(=O)OC)n1.
What is the InChIKey of ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
The InChIKey is PDJSOJYWXCGHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-3-19-11(16)8-6-4-5-7(13-8)9(14)10(15)12(17)18-2/h4-6,9-10,14-15H,3H2,1-2H3.
What are the key properties of ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate?
ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate has a molecular weight of 269.25 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(1,2-dihydroxy-3-methoxy-3-oxopropyl)pyridine-2-carboxylate is sourced from PubChem (CID 171864733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).