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

C16H15NO4 — CID 102083837

IUPACdimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nc(C)cc(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C16H15NO4/c1-10-9-12(11-7-5-4-6-8-11)13(15(18)20-2)14(17-10)16(19)21-3/h4-9H,1-3H3
InChIKeyCSCHTJHLMQHNOF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.63
Rot. Bonds3

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

dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate (PubChem CID 102083837) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
PubChem CID102083837
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namedimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1nc(C)cc(-c2ccccc2)c1C(=O)OC
InChIInChI=1S/C16H15NO4/c1-10-9-12(11-7-5-4-6-8-11)13(15(18)20-2)14(17-10)16(19)21-3/h4-9H,1-3H3
InChIKeyCSCHTJHLMQHNOF-UHFFFAOYSA-N
XLogP2.63
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate (CID 102083837) is dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate is COC(=O)c1nc(C)cc(-c2ccccc2)c1C(=O)OC.
What is the InChIKey of dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate?
The InChIKey is CSCHTJHLMQHNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-10-9-12(11-7-5-4-6-8-11)13(15(18)20-2)14(17-10)16(19)21-3/h4-9H,1-3H3.
What are the key properties of dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate?
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 102083837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).