methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate

C15H13NO2 — CID 155479516

IUPACmethyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
SMILESCOC(=O)c1cccc(/C=C\c2ccncc2)c1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14-4-2-3-13(11-14)6-5-12-7-9-16-10-8-12/h2-11H,1H3/b6-5-
InChIKeyRWZXHTDLTDUTLZ-WAYWQWQTSA-N
MW239.27 g/mol
LogP3.04
Rot. Bonds3

About methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate

methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate (PubChem CID 155479516) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
PubChem CID155479516
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate
SMILESCOC(=O)c1cccc(/C=C\c2ccncc2)c1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14-4-2-3-13(11-14)6-5-12-7-9-16-10-8-12/h2-11H,1H3/b6-5-
InChIKeyRWZXHTDLTDUTLZ-WAYWQWQTSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methoxyethenyl)benzoate
CID 67019210
methyl 3-[(E)-2-thiophen-2-ylethenyl]benzoate
CID 155479747
cadmium(2+);bis(3-[(E)-2-pyridin-4-ylethenyl]benzoate)
CID 15364197
methyl 3-[(E)-2-(furan-3-yl)ethenyl]benzoate
CID 102437216
methyl 3-pyridin-4-ylbenzoate
CID 5152687
methyl 4-[4-[(E)-2-pyridin-4-ylethenyl]-N-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]anilino]benzoate
CID 24814387
methyl 3-acetylbenzoate
CID 15094405
ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
CID 143301248
methyl 3-(4-aminobut-1-enyl)benzoate
CID 170487184
methyl 4-[(Z)-2-(3-trimethylsilylphenyl)ethenyl]benzoate
CID 124635200
methyl 3-(4-sulfanylbut-1-enyl)benzoate
CID 170478585
methyl 3-(3-ethoxy-3-oxoprop-1-enyl)benzoate
CID 54092134

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate?
The IUPAC name of methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate (CID 155479516) is methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate.
What is the SMILES notation for methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate?
The canonical SMILES for methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate is COC(=O)c1cccc(/C=C\c2ccncc2)c1.
What is the InChIKey of methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate?
The InChIKey is RWZXHTDLTDUTLZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15(17)14-4-2-3-13(11-14)6-5-12-7-9-16-10-8-12/h2-11H,1H3/b6-5-.
What are the key properties of methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate?
methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate has a molecular weight of 239.27 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(Z)-2-pyridin-4-ylethenyl]benzoate is sourced from PubChem (CID 155479516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).