methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate

C14H19NO7 — CID 167833497

IUPACmethyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
SMILESCOC(=O)Cc1nc(OCCOCCO)ccc1C(=O)OC
InChIInChI=1S/C14H19NO7/c1-19-13(17)9-11-10(14(18)20-2)3-4-12(15-11)22-8-7-21-6-5-16/h3-4,16H,5-9H2,1-2H3
InChIKeyFWOOLUXDGMFWLY-UHFFFAOYSA-N
MW313.31 g/mol
LogP-0.03
Rot. Bonds9

About methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate

methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate (PubChem CID 167833497) has the molecular formula C14H19NO7 and a molecular weight of 313.31 g/mol. Its IUPAC name is methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
PubChem CID167833497
Molecular FormulaC14H19NO7
Molecular Weight313.31 g/mol
Exact Mass313.12
IUPAC Namemethyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
SMILESCOC(=O)Cc1nc(OCCOCCO)ccc1C(=O)OC
InChIInChI=1S/C14H19NO7/c1-19-13(17)9-11-10(14(18)20-2)3-4-12(15-11)22-8-7-21-6-5-16/h3-4,16H,5-9H2,1-2H3
InChIKeyFWOOLUXDGMFWLY-UHFFFAOYSA-N
XLogP-0.03
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[2-(1-ethylpyrazol-4-yl)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate
CID 138048308
dimethyl 4-[2-(2-hydroxyethoxy)ethoxy]benzene-1,2-dicarboxylate;dimethyl 4-(2-propoxyethoxy)benzene-1,2-dicarboxylate
CID 159988361
methyl 2-(2-hydroxyethoxymethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169434452
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-[2-(2-quinolin-2-yloxyethoxy)ethoxy]ethanol
CID 142628371
2-[2-(6-methylpyridazin-3-yl)oxyethoxy]ethanol
CID 86090620
methyl 2-(2-methoxy-2-oxoethyl)-8-methylquinoline-3-carboxylate
CID 10923721
methyl 2-hydroxy-3-[2-[2-[2-(2-hydroxy-3-methoxycarbonylphenoxy)ethoxy]ethoxy]ethoxy]benzoate
CID 100926239
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961
methyl 2-amino-6-(3,3-difluorobutoxy)pyridine-3-carboxylate
CID 154664795
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]benzoate
CID 122582432

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate (CID 167833497) is methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate is COC(=O)Cc1nc(OCCOCCO)ccc1C(=O)OC.
What is the InChIKey of methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
The InChIKey is FWOOLUXDGMFWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO7/c1-19-13(17)9-11-10(14(18)20-2)3-4-12(15-11)22-8-7-21-6-5-16/h3-4,16H,5-9H2,1-2H3.
What are the key properties of methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate?
methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate has a molecular weight of 313.31 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-hydroxyethoxy)ethoxy]-2-(2-methoxy-2-oxoethyl)pyridine-3-carboxylate is sourced from PubChem (CID 167833497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).