ethyl 2,6-diphenylpyridine-4-carboxylate

C20H17NO2 — CID 3611076

IUPACethyl 2,6-diphenylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C20H17NO2/c1-2-23-20(22)17-13-18(15-9-5-3-6-10-15)21-19(14-17)16-11-7-4-8-12-16/h3-14H,2H2,1H3
InChIKeyKKLDWEZQDULUDH-UHFFFAOYSA-N
MW303.36 g/mol
LogP4.59
Rot. Bonds4

About ethyl 2,6-diphenylpyridine-4-carboxylate

ethyl 2,6-diphenylpyridine-4-carboxylate (PubChem CID 3611076) has the molecular formula C20H17NO2 and a molecular weight of 303.36 g/mol. Its IUPAC name is ethyl 2,6-diphenylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,6-diphenylpyridine-4-carboxylate
PubChem CID3611076
Molecular FormulaC20H17NO2
Molecular Weight303.36 g/mol
Exact Mass303.13
IUPAC Nameethyl 2,6-diphenylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1
InChIInChI=1S/C20H17NO2/c1-2-23-20(22)17-13-18(15-9-5-3-6-10-15)21-19(14-17)16-11-7-4-8-12-16/h3-14H,2H2,1H3
InChIKeyKKLDWEZQDULUDH-UHFFFAOYSA-N
XLogP4.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,6-diphenylpyridine-4-carboxylate?
The IUPAC name of ethyl 2,6-diphenylpyridine-4-carboxylate (CID 3611076) is ethyl 2,6-diphenylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2,6-diphenylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2,6-diphenylpyridine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc(-c2ccccc2)c1.
What is the InChIKey of ethyl 2,6-diphenylpyridine-4-carboxylate?
The InChIKey is KKLDWEZQDULUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO2/c1-2-23-20(22)17-13-18(15-9-5-3-6-10-15)21-19(14-17)16-11-7-4-8-12-16/h3-14H,2H2,1H3.
What are the key properties of ethyl 2,6-diphenylpyridine-4-carboxylate?
ethyl 2,6-diphenylpyridine-4-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,6-diphenylpyridine-4-carboxylate is sourced from PubChem (CID 3611076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).