methyl 6-(methoxymethoxy)pyridine-3-carboxylate

C9H11NO4 — CID 50896445

IUPACmethyl 6-(methoxymethoxy)pyridine-3-carboxylate
SMILESCOCOc1ccc(C(=O)OC)cn1
InChIInChI=1S/C9H11NO4/c1-12-6-14-8-4-3-7(5-10-8)9(11)13-2/h3-5H,6H2,1-2H3
InChIKeySJSHUOFQSVOAEA-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.85
Rot. Bonds4

About methyl 6-(methoxymethoxy)pyridine-3-carboxylate

methyl 6-(methoxymethoxy)pyridine-3-carboxylate (PubChem CID 50896445) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 6-(methoxymethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(methoxymethoxy)pyridine-3-carboxylate
PubChem CID50896445
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Namemethyl 6-(methoxymethoxy)pyridine-3-carboxylate
SMILESCOCOc1ccc(C(=O)OC)cn1
InChIInChI=1S/C9H11NO4/c1-12-6-14-8-4-3-7(5-10-8)9(11)13-2/h3-5H,6H2,1-2H3
InChIKeySJSHUOFQSVOAEA-UHFFFAOYSA-N
XLogP0.85
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(3-aminopropoxy)pyridine-3-carboxylate;hydrochloride
CID 166000008
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
methyl 6-[(4-phenylphenyl)methoxy]pyridine-3-carboxylate
CID 18508353
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
methyl 6-[(4-ethenylphenyl)methoxy]pyridine-3-carboxylate
CID 59042084
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-(azetidin-3-yloxy)pyridine-3-carboxylate;dihydrochloride
CID 91812449
methyl 6-(trideuteriomethyl)pyridine-3-carboxylate
CID 59327576
methyl 6-methylsulfanylpyridine-3-carboxylate
CID 901959
2-O-ethyl 5-O-methyl pyridine-2,5-dicarboxylate
CID 152564133

Frequently Asked Questions

What is the IUPAC name of methyl 6-(methoxymethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(methoxymethoxy)pyridine-3-carboxylate (CID 50896445) is methyl 6-(methoxymethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(methoxymethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(methoxymethoxy)pyridine-3-carboxylate is COCOc1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-(methoxymethoxy)pyridine-3-carboxylate?
The InChIKey is SJSHUOFQSVOAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-12-6-14-8-4-3-7(5-10-8)9(11)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 6-(methoxymethoxy)pyridine-3-carboxylate?
methyl 6-(methoxymethoxy)pyridine-3-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(methoxymethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 50896445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).