3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid

C15H13NO3 — CID 23061535

IUPAC3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid
SMILESC=Cc1ccc(COc2cccnc2C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c1-2-11-5-7-12(8-6-11)10-19-13-4-3-9-16-14(13)15(17)18/h2-9H,1,10H2,(H,17,18)
InChIKeyHXGFQDHREREHJV-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.00
Rot. Bonds5

About 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid

3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 23061535) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID23061535
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid
SMILESC=Cc1ccc(COc2cccnc2C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c1-2-11-5-7-12(8-6-11)10-19-13-4-3-9-16-14(13)15(17)18/h2-9H,1,10H2,(H,17,18)
InChIKeyHXGFQDHREREHJV-UHFFFAOYSA-N
XLogP3.00
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid (CID 23061535) is 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid is C=Cc1ccc(COc2cccnc2C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is HXGFQDHREREHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-2-11-5-7-12(8-6-11)10-19-13-4-3-9-16-14(13)15(17)18/h2-9H,1,10H2,(H,17,18).
What are the key properties of 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid?
3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethenylphenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 23061535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).