dimethyl 4-aminopyridine-2,3-dicarboxylate

C9H10N2O4 — CID 14282694

IUPACdimethyl 4-aminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nccc(N)c1C(=O)OC
InChIInChI=1S/C9H10N2O4/c1-14-8(12)6-5(10)3-4-11-7(6)9(13)15-2/h3-4H,1-2H3,(H2,10,11)
InChIKeyVOGZIFYWGKSLJR-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.24
Rot. Bonds2

About dimethyl 4-aminopyridine-2,3-dicarboxylate

dimethyl 4-aminopyridine-2,3-dicarboxylate (PubChem CID 14282694) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is dimethyl 4-aminopyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-aminopyridine-2,3-dicarboxylate
PubChem CID14282694
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Namedimethyl 4-aminopyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nccc(N)c1C(=O)OC
InChIInChI=1S/C9H10N2O4/c1-14-8(12)6-5(10)3-4-11-7(6)9(13)15-2/h3-4H,1-2H3,(H2,10,11)
InChIKeyVOGZIFYWGKSLJR-UHFFFAOYSA-N
XLogP0.24
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-aminopyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-aminopyridine-2,3-dicarboxylate (CID 14282694) is dimethyl 4-aminopyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-aminopyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-aminopyridine-2,3-dicarboxylate is COC(=O)c1nccc(N)c1C(=O)OC.
What is the InChIKey of dimethyl 4-aminopyridine-2,3-dicarboxylate?
The InChIKey is VOGZIFYWGKSLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-14-8(12)6-5(10)3-4-11-7(6)9(13)15-2/h3-4H,1-2H3,(H2,10,11).
What are the key properties of dimethyl 4-aminopyridine-2,3-dicarboxylate?
dimethyl 4-aminopyridine-2,3-dicarboxylate has a molecular weight of 210.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-aminopyridine-2,3-dicarboxylate is sourced from PubChem (CID 14282694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).