dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate

C14H19NO4 — CID 44521370

IUPACdimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
SMILESCCCCc1cc(C)nc(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-5-6-7-10-8-9(2)15-12(14(17)19-4)11(10)13(16)18-3/h8H,5-7H2,1-4H3
InChIKeyFJLIGXWPGMMXGK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.31
Rot. Bonds5

About dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate

dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate (PubChem CID 44521370) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
PubChem CID44521370
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namedimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate
SMILESCCCCc1cc(C)nc(C(=O)OC)c1C(=O)OC
InChIInChI=1S/C14H19NO4/c1-5-6-7-10-8-9(2)15-12(14(17)19-4)11(10)13(16)18-3/h8H,5-7H2,1-4H3
InChIKeyFJLIGXWPGMMXGK-UHFFFAOYSA-N
XLogP2.31
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate (CID 44521370) is dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate is CCCCc1cc(C)nc(C(=O)OC)c1C(=O)OC.
What is the InChIKey of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
The InChIKey is FJLIGXWPGMMXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-5-6-7-10-8-9(2)15-12(14(17)19-4)11(10)13(16)18-3/h8H,5-7H2,1-4H3.
What are the key properties of dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate?
dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-butyl-6-methylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 44521370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).