methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate

C16H15NO3 — CID 11129341

IUPACmethyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(/C=C/c2ccc(OC)cc2)nc1
InChIInChI=1S/C16H15NO3/c1-19-15-9-4-12(5-10-15)3-7-14-8-6-13(11-17-14)16(18)20-2/h3-11H,1-2H3/b7-3+
InChIKeyOMPVJFLHZVGPQH-XVNBXDOJSA-N
MW269.30 g/mol
LogP3.05
Rot. Bonds4

About methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate

methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate (PubChem CID 11129341) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
PubChem CID11129341
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(/C=C/c2ccc(OC)cc2)nc1
InChIInChI=1S/C16H15NO3/c1-19-15-9-4-12(5-10-15)3-7-14-8-6-13(11-17-14)16(18)20-2/h3-11H,1-2H3/b7-3+
InChIKeyOMPVJFLHZVGPQH-XVNBXDOJSA-N
XLogP3.05
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
methyl 4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoate
CID 2844299
methyl 6-(3-chloroprop-1-enyl)pyridine-3-carboxylate
CID 169477730
formic acid;methyl 4-methoxybenzoate
CID 159779883
methyl 4-[(E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]benzoate
CID 27128867
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
6-[2-[4-(dimethylamino)phenyl]ethenyl]pyridine-3-carboxamide
CID 175885457
2-[(Z)-2-(4-methoxyphenyl)ethenyl]-6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine
CID 92532273
4-[2-(4-methoxyphenyl)ethenyl]-1-methylpyridin-1-ium;hydroiodide
CID 126960038

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate (CID 11129341) is methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate is COC(=O)c1ccc(/C=C/c2ccc(OC)cc2)nc1.
What is the InChIKey of methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate?
The InChIKey is OMPVJFLHZVGPQH-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H15NO3/c1-19-15-9-4-12(5-10-15)3-7-14-8-6-13(11-17-14)16(18)20-2/h3-11H,1-2H3/b7-3+.
What are the key properties of methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate?
methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylate is sourced from PubChem (CID 11129341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).