dimethyl 6-phenylpyridine-2,3-dicarboxylate

C15H13NO4 — CID 13345303

IUPACdimethyl 6-phenylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)nc1C(=O)OC
InChIInChI=1S/C15H13NO4/c1-19-14(17)11-8-9-12(10-6-4-3-5-7-10)16-13(11)15(18)20-2/h3-9H,1-2H3
InChIKeyRHSRHLJTQSWZPR-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.32
Rot. Bonds3

About dimethyl 6-phenylpyridine-2,3-dicarboxylate

dimethyl 6-phenylpyridine-2,3-dicarboxylate (PubChem CID 13345303) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is dimethyl 6-phenylpyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-phenylpyridine-2,3-dicarboxylate
PubChem CID13345303
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namedimethyl 6-phenylpyridine-2,3-dicarboxylate
SMILESCOC(=O)c1ccc(-c2ccccc2)nc1C(=O)OC
InChIInChI=1S/C15H13NO4/c1-19-14(17)11-8-9-12(10-6-4-3-5-7-10)16-13(11)15(18)20-2/h3-9H,1-2H3
InChIKeyRHSRHLJTQSWZPR-UHFFFAOYSA-N
XLogP2.32
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6-phenylpyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-phenylpyridine-2,3-dicarboxylate (CID 13345303) is dimethyl 6-phenylpyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-phenylpyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-phenylpyridine-2,3-dicarboxylate is COC(=O)c1ccc(-c2ccccc2)nc1C(=O)OC.
What is the InChIKey of dimethyl 6-phenylpyridine-2,3-dicarboxylate?
The InChIKey is RHSRHLJTQSWZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-14(17)11-8-9-12(10-6-4-3-5-7-10)16-13(11)15(18)20-2/h3-9H,1-2H3.
What are the key properties of dimethyl 6-phenylpyridine-2,3-dicarboxylate?
dimethyl 6-phenylpyridine-2,3-dicarboxylate has a molecular weight of 271.27 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-phenylpyridine-2,3-dicarboxylate is sourced from PubChem (CID 13345303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).