methyl 4-(3-ethenyl-2-pyridinyl)benzoate

C15H13NO2 — CID 59725668

IUPACmethyl 4-(3-ethenyl-2-pyridinyl)benzoate
SMILESC=Cc1cccnc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H13NO2/c1-3-11-5-4-10-16-14(11)12-6-8-13(9-7-12)15(17)18-2/h3-10H,1H2,2H3
InChIKeyYEGGJQAVNIFHBC-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.18
Rot. Bonds3

About methyl 4-(3-ethenyl-2-pyridinyl)benzoate

methyl 4-(3-ethenyl-2-pyridinyl)benzoate (PubChem CID 59725668) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-(3-ethenyl-2-pyridinyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(3-ethenyl-2-pyridinyl)benzoate
PubChem CID59725668
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-(3-ethenyl-2-pyridinyl)benzoate
SMILESC=Cc1cccnc1-c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H13NO2/c1-3-11-5-4-10-16-14(11)12-6-8-13(9-7-12)15(17)18-2/h3-10H,1H2,2H3
InChIKeyYEGGJQAVNIFHBC-UHFFFAOYSA-N
XLogP3.18
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-formyl-2-pyridinyl)benzoate
CID 57360940
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
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methyl 4-(4-prop-2-enoxyphenyl)benzoate
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methyl 4-(5-iodo-1-methyl-2-pyridin-2-ylimidazol-4-yl)benzoate
CID 66986124
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031
methyl 4-(5-formyl-2-methylsulfanylpyrimidin-4-yl)benzoate
CID 154930801
methyl 3-chloro-4-ethenylbenzoate
CID 21360560
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
methyl 4-methylbenzoate
CID 91113291
CID 157228504
CID 157228504
methyl 4-methylbenzoate
CID 7455
methyl benzoate;hydrate
CID 141218240

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-ethenyl-2-pyridinyl)benzoate?
The IUPAC name of methyl 4-(3-ethenyl-2-pyridinyl)benzoate (CID 59725668) is methyl 4-(3-ethenyl-2-pyridinyl)benzoate.
What is the SMILES notation for methyl 4-(3-ethenyl-2-pyridinyl)benzoate?
The canonical SMILES for methyl 4-(3-ethenyl-2-pyridinyl)benzoate is C=Cc1cccnc1-c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(3-ethenyl-2-pyridinyl)benzoate?
The InChIKey is YEGGJQAVNIFHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-3-11-5-4-10-16-14(11)12-6-8-13(9-7-12)15(17)18-2/h3-10H,1H2,2H3.
What are the key properties of methyl 4-(3-ethenyl-2-pyridinyl)benzoate?
methyl 4-(3-ethenyl-2-pyridinyl)benzoate has a molecular weight of 239.27 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-ethenyl-2-pyridinyl)benzoate is sourced from PubChem (CID 59725668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).