(2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate

C16H15NO3 — CID 12902593

IUPAC(2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate
SMILESC=CCc1ccc(OC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C16H15NO3/c1-3-5-12-7-8-14(15(10-12)19-2)20-16(18)13-6-4-9-17-11-13/h3-4,6-11H,1,5H2,2H3
InChIKeyYUMWYNOTOZFTDH-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.04
Rot. Bonds5

About (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate

(2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate (PubChem CID 12902593) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate
PubChem CID12902593
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name(2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate
SMILESC=CCc1ccc(OC(=O)c2cccnc2)c(OC)c1
InChIInChI=1S/C16H15NO3/c1-3-5-12-7-8-14(15(10-12)19-2)20-16(18)13-6-4-9-17-11-13/h3-4,6-11H,1,5H2,2H3
InChIKeyYUMWYNOTOZFTDH-UHFFFAOYSA-N
XLogP3.04
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate?
The IUPAC name of (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate (CID 12902593) is (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate.
What is the SMILES notation for (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate?
The canonical SMILES for (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate is C=CCc1ccc(OC(=O)c2cccnc2)c(OC)c1.
What is the InChIKey of (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate?
The InChIKey is YUMWYNOTOZFTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-5-12-7-8-14(15(10-12)19-2)20-16(18)13-6-4-9-17-11-13/h3-4,6-11H,1,5H2,2H3.
What are the key properties of (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate?
(2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-prop-2-enylphenyl) pyridine-3-carboxylate is sourced from PubChem (CID 12902593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).