dimethyl 6-methoxypyridine-2,3-dicarboxylate

C10H11NO5 — CID 614472

IUPACdimethyl 6-methoxypyridine-2,3-dicarboxylate
SMILESCOC(=O)c1ccc(OC)nc1C(=O)OC
InChIInChI=1S/C10H11NO5/c1-14-7-5-4-6(9(12)15-2)8(11-7)10(13)16-3/h4-5H,1-3H3
InChIKeyHGVPDLQGKMLXAG-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.66
Rot. Bonds3

About dimethyl 6-methoxypyridine-2,3-dicarboxylate

dimethyl 6-methoxypyridine-2,3-dicarboxylate (PubChem CID 614472) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is dimethyl 6-methoxypyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methoxypyridine-2,3-dicarboxylate
PubChem CID614472
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Namedimethyl 6-methoxypyridine-2,3-dicarboxylate
SMILESCOC(=O)c1ccc(OC)nc1C(=O)OC
InChIInChI=1S/C10H11NO5/c1-14-7-5-4-6(9(12)15-2)8(11-7)10(13)16-3/h4-5H,1-3H3
InChIKeyHGVPDLQGKMLXAG-UHFFFAOYSA-N
XLogP0.66
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methoxypyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-methoxypyridine-2,3-dicarboxylate (CID 614472) is dimethyl 6-methoxypyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-methoxypyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-methoxypyridine-2,3-dicarboxylate is COC(=O)c1ccc(OC)nc1C(=O)OC.
What is the InChIKey of dimethyl 6-methoxypyridine-2,3-dicarboxylate?
The InChIKey is HGVPDLQGKMLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-14-7-5-4-6(9(12)15-2)8(11-7)10(13)16-3/h4-5H,1-3H3.
What are the key properties of dimethyl 6-methoxypyridine-2,3-dicarboxylate?
dimethyl 6-methoxypyridine-2,3-dicarboxylate has a molecular weight of 225.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methoxypyridine-2,3-dicarboxylate is sourced from PubChem (CID 614472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).