dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate

C10H13NO4 — CID 71333663

IUPACdimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate
SMILESCOC(=O)C1=CN(C(=O)OC)C=CC1C
InChIInChI=1S/C10H13NO4/c1-7-4-5-11(10(13)15-3)6-8(7)9(12)14-2/h4-7H,1-3H3
InChIKeyJHLLRACBGZFNJN-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.28
Rot. Bonds1

About dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate

dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate (PubChem CID 71333663) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate
PubChem CID71333663
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namedimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate
SMILESCOC(=O)C1=CN(C(=O)OC)C=CC1C
InChIInChI=1S/C10H13NO4/c1-7-4-5-11(10(13)15-3)6-8(7)9(12)14-2/h4-7H,1-3H3
InChIKeyJHLLRACBGZFNJN-UHFFFAOYSA-N
XLogP1.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate (CID 71333663) is dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate is COC(=O)C1=CN(C(=O)OC)C=CC1C.
What is the InChIKey of dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate?
The InChIKey is JHLLRACBGZFNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-4-5-11(10(13)15-3)6-8(7)9(12)14-2/h4-7H,1-3H3.
What are the key properties of dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate?
dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate has a molecular weight of 211.22 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methyl-4H-pyridine-1,3-dicarboxylate is sourced from PubChem (CID 71333663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).