dimethyl 5-methylpyridine-2,3-dicarboxylate

C10H11NO4 — CID 11745869

IUPACdimethyl 5-methylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc(C)cnc1C(=O)OC
InChIInChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3
InChIKeyMKOJTLPEGLTEFM-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.96
Rot. Bonds2

About dimethyl 5-methylpyridine-2,3-dicarboxylate

dimethyl 5-methylpyridine-2,3-dicarboxylate (PubChem CID 11745869) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is dimethyl 5-methylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methylpyridine-2,3-dicarboxylate
PubChem CID11745869
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Namedimethyl 5-methylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc(C)cnc1C(=O)OC
InChIInChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3
InChIKeyMKOJTLPEGLTEFM-UHFFFAOYSA-N
XLogP0.96
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methylpyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 5-methylpyridine-2,3-dicarboxylate (CID 11745869) is dimethyl 5-methylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-methylpyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 5-methylpyridine-2,3-dicarboxylate is COC(=O)c1cc(C)cnc1C(=O)OC.
What is the InChIKey of dimethyl 5-methylpyridine-2,3-dicarboxylate?
The InChIKey is MKOJTLPEGLTEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-6-4-7(9(12)14-2)8(11-5-6)10(13)15-3/h4-5H,1-3H3.
What are the key properties of dimethyl 5-methylpyridine-2,3-dicarboxylate?
dimethyl 5-methylpyridine-2,3-dicarboxylate has a molecular weight of 209.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 11745869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).