dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate

C17H17NO4 — CID 10957521

IUPACdimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1
InChIInChI=1S/C17H17NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-9H,1-4H3
InChIKeyZRODZECCHZZHBO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.94
Rot. Bonds3

About dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate

dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate (PubChem CID 10957521) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
PubChem CID10957521
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namedimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
SMILESCOC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1
InChIInChI=1S/C17H17NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-9H,1-4H3
InChIKeyZRODZECCHZZHBO-UHFFFAOYSA-N
XLogP2.94
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate (CID 10957521) is dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate is COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1ccccc1.
What is the InChIKey of dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate?
The InChIKey is ZRODZECCHZZHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-9H,1-4H3.
What are the key properties of dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate?
dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate is sourced from PubChem (CID 10957521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).