ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate

C21H19NO2 — CID 155933286

IUPACethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2-c2ncccc2C)cc1
InChIInChI=1S/C21H19NO2/c1-3-24-21(23)17-12-10-16(11-13-17)18-8-4-5-9-19(18)20-15(2)7-6-14-22-20/h4-14H,3H2,1-2H3
InChIKeySGAZRZIAPLFTCS-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.90
Rot. Bonds4

About ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate

ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate (PubChem CID 155933286) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate
PubChem CID155933286
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Nameethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate
SMILESCCOC(=O)c1ccc(-c2ccccc2-c2ncccc2C)cc1
InChIInChI=1S/C21H19NO2/c1-3-24-21(23)17-12-10-16(11-13-17)18-8-4-5-9-19(18)20-15(2)7-6-14-22-20/h4-14H,3H2,1-2H3
InChIKeySGAZRZIAPLFTCS-UHFFFAOYSA-N
XLogP4.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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S9947
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Methyl isoquinoline-5-carboxylate
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Methyl 3-isoquinolinecarboxylate
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Methyl 6-pyridin-3-yl-2-naphthoate
CID 11594132
Ethyl 3-[2-(aminomethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115401
4-(2-Pyridyl)Benzoic Acid
CID 821692
Benzoylmethyl pyridine-4-carboxylate
CID 2346313
(4-Tert-butyl-2,6-dimethylphenyl)methyl pyridine-3-carboxylate
CID 2361914
methyl 4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]benzoate
CID 6070576

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate?
The IUPAC name of ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate (CID 155933286) is ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate.
What is the SMILES notation for ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate?
The canonical SMILES for ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate is CCOC(=O)c1ccc(-c2ccccc2-c2ncccc2C)cc1.
What is the InChIKey of ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate?
The InChIKey is SGAZRZIAPLFTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-3-24-21(23)17-12-10-16(11-13-17)18-8-4-5-9-19(18)20-15(2)7-6-14-22-20/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate?
ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate has a molecular weight of 317.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-methyl-2-pyridinyl)phenyl]benzoate is sourced from PubChem (CID 155933286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).