dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate

C11H11NO6 — CID 15672399

IUPACdimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc(C=O)c(OC)nc1C(=O)OC
InChIInChI=1S/C11H11NO6/c1-16-9-6(5-13)4-7(10(14)17-2)8(12-9)11(15)18-3/h4-5H,1-3H3
InChIKeyKMESINBPPYWRKL-UHFFFAOYSA-N
MW253.21 g/mol
LogP0.48
Rot. Bonds4

About dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate

dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate (PubChem CID 15672399) has the molecular formula C11H11NO6 and a molecular weight of 253.21 g/mol. Its IUPAC name is dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
PubChem CID15672399
Molecular FormulaC11H11NO6
Molecular Weight253.21 g/mol
Exact Mass253.06
IUPAC Namedimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc(C=O)c(OC)nc1C(=O)OC
InChIInChI=1S/C11H11NO6/c1-16-9-6(5-13)4-7(10(14)17-2)8(12-9)11(15)18-3/h4-5H,1-3H3
InChIKeyKMESINBPPYWRKL-UHFFFAOYSA-N
XLogP0.48
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-formyl-2,6-dimethoxypyridine-3-carboxylate
CID 86118216
tetramethyl pyridine-2,3,5,6-tetracarboxylate
CID 767414
methoxymethane;methyl 3,6,7-triformylnaphthalene-2-carboxylate
CID 144983878
2,5-diformyl-4-methoxycarbonylbenzoic acid;methoxymethane
CID 176556695
methyl 5-formyl-2,4-dihydroxy-3-methoxybenzoate
CID 121215585
methyl 5-formyl-2-methoxy-4-nitrobenzoate
CID 171024024
ethane;methyl 4-formyl-2-methoxy-5-nitrobenzoate
CID 145020183
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
methyl 4-fluoro-2-formyl-5-nitrobenzoate
CID 171010714
methyl 3-amino-5-bromo-6-methoxypyridine-2-carboxylate
CID 155682412
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate (CID 15672399) is dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate is COC(=O)c1cc(C=O)c(OC)nc1C(=O)OC.
What is the InChIKey of dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate?
The InChIKey is KMESINBPPYWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO6/c1-16-9-6(5-13)4-7(10(14)17-2)8(12-9)11(15)18-3/h4-5H,1-3H3.
What are the key properties of dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate?
dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate has a molecular weight of 253.21 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-formyl-6-methoxypyridine-2,3-dicarboxylate is sourced from PubChem (CID 15672399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).