ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate

C23H21NO3 — CID 11371814

IUPACethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(COC=C(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C23H21NO3/c1-2-27-23(25)20-13-14-21(24-15-20)16-26-17-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3
InChIKeySQKODQOOWMNQFU-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.86
Rot. Bonds7

About ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate

ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate (PubChem CID 11371814) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate
PubChem CID11371814
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Nameethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(COC=C(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C23H21NO3/c1-2-27-23(25)20-13-14-21(24-15-20)16-26-17-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3
InChIKeySQKODQOOWMNQFU-UHFFFAOYSA-N
XLogP4.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 6-(methylsulfonyloxymethyl)pyridine-3-carboxylate
CID 10988996
ethyl 6-[(carbamoylamino)methyl]pyridine-3-carboxylate
CID 178112074
CID 158970570
CID 158970570
ethyl 6-(azidomethyl)pyridine-3-carboxylate
CID 118667100
ethyl benzoate;phthalic acid
CID 159584831
ethyl 6-(2-hydroxyphenyl)sulfanylpyridine-3-carboxylate
CID 62028773
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
chloroethane;ethyl benzoate
CID 91175503
ethyl benzoate;toluene
CID 23150750
ethyl 6-methanethioyloxypyridine-3-carboxylate
CID 87198235
ethyl 6-(2-fluorophenyl)sulfanylpyridine-3-carboxylate
CID 103613543

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate (CID 11371814) is ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate is CCOC(=O)c1ccc(COC=C(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate?
The InChIKey is SQKODQOOWMNQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-2-27-23(25)20-13-14-21(24-15-20)16-26-17-22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17H,2,16H2,1H3.
What are the key properties of ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate?
ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,2-diphenylethenoxymethyl)pyridine-3-carboxylate is sourced from PubChem (CID 11371814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).