methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate

C21H19NO2 — CID 159420112

IUPACmethyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CC(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H19NO2/c1-24-21(23)20-13-12-16(15-22-20)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3
InChIKeyPKCIUHRXORKVMB-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.24
Rot. Bonds5

About methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate

methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate (PubChem CID 159420112) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
PubChem CID159420112
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Namemethyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(CC(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C21H19NO2/c1-24-21(23)20-13-12-16(15-22-20)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3
InChIKeyPKCIUHRXORKVMB-UHFFFAOYSA-N
XLogP4.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate (CID 159420112) is methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate is COC(=O)c1ccc(CC(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate?
The InChIKey is PKCIUHRXORKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-24-21(23)20-13-12-16(15-22-20)14-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,15,19H,14H2,1H3.
What are the key properties of methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate?
methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-diphenylethyl)pyridine-2-carboxylate is sourced from PubChem (CID 159420112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).