dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate

C17H15NO4 — CID 50915747

IUPACdimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate
SMILESCOC(=O)c1ccnc(C(=O)OC)c1/C=C/c1ccccc1
InChIInChI=1S/C17H15NO4/c1-21-16(19)14-10-11-18-15(17(20)22-2)13(14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKeyHNUJJXBNDWEYGF-CMDGGOBGSA-N
MW297.31 g/mol
LogP2.83
Rot. Bonds4

About dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate

dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate (PubChem CID 50915747) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate
PubChem CID50915747
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namedimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate
SMILESCOC(=O)c1ccnc(C(=O)OC)c1/C=C/c1ccccc1
InChIInChI=1S/C17H15NO4/c1-21-16(19)14-10-11-18-15(17(20)22-2)13(14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+
InChIKeyHNUJJXBNDWEYGF-CMDGGOBGSA-N
XLogP2.83
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methoxy-5-[(E)-2-phenylethenyl]benzoate
CID 155479645
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
methyl 2-[(E)-3-phenylprop-2-enoyl]benzoate
CID 10333131
dimethyl benzene-1,2-dicarboxylate;methyl (E)-3-phenylprop-2-enoate
CID 19966781
methyl 2-amino-5-(2-phenylethenyl)benzoate
CID 70119663
methyl 2-nitro-5-[(E)-2-phenylethenyl]benzoate
CID 5383028
methyl 2-[(E)-1-nitro-2-phenylethenyl]benzoate
CID 5380215
5-methoxycarbonyl-3-[(E)-2-phenylethenyl]imidazole-4-carboxylic acid
CID 5373361
dimethyl 6-[(E)-2-phenylethenyl]quinoline-2,4-dicarboxylate
CID 11089322
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427
dimethyl 2-phenyl-5-[(E)-2-phenylethenyl]benzene-1,4-dicarboxylate
CID 134959139
methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
CID 122455034

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate (CID 50915747) is dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate is COC(=O)c1ccnc(C(=O)OC)c1/C=C/c1ccccc1.
What is the InChIKey of dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate?
The InChIKey is HNUJJXBNDWEYGF-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15NO4/c1-21-16(19)14-10-11-18-15(17(20)22-2)13(14)9-8-12-6-4-3-5-7-12/h3-11H,1-2H3/b9-8+.
What are the key properties of dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate?
dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate has a molecular weight of 297.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate is sourced from PubChem (CID 50915747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).