2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid

C15H13NO3 — CID 22722084

IUPAC2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(/C=C/c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c1-19-12-7-4-11(5-8-12)6-9-14-13(15(17)18)3-2-10-16-14/h2-10H,1H3,(H,17,18)/b9-6+
InChIKeyWKDHIRWBAQNUSX-RMKNXTFCSA-N
MW255.27 g/mol
LogP2.96
Rot. Bonds4

About 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid

2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid (PubChem CID 22722084) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid
PubChem CID22722084
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid
SMILESCOc1ccc(/C=C/c2ncccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO3/c1-19-12-7-4-11(5-8-12)6-9-14-13(15(17)18)3-2-10-16-14/h2-10H,1H3,(H,17,18)/b9-6+
InChIKeyWKDHIRWBAQNUSX-RMKNXTFCSA-N
XLogP2.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-3-oxoprop-1-enyl)pyridine-3-carboxylic acid
CID 169479048
methyl 2-[2-(4-bromophenyl)ethenyl]pyridine-3-carboxylate
CID 122455034
(E)-1-(2-chloro-3-pyridinyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 71726330
2-(3-oxoprop-1-enyl)pyridine-3-carboxylic acid
CID 169459148
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-2-(4-methoxyphenyl)ethenyl]-3-pyrimidin-2-ylurea
CID 108907686
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-chloro-N-[3-(4-methoxyphenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4656498
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
2-(2,4-dimethoxyphenyl)pyridine-3-carboxylic acid
CID 53223736
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
2-[2-(4-methoxyphenyl)ethenyl]-3,5,6-trimethylpyrazine
CID 76514163

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid (CID 22722084) is 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid is COc1ccc(/C=C/c2ncccc2C(=O)O)cc1.
What is the InChIKey of 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid?
The InChIKey is WKDHIRWBAQNUSX-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-12-7-4-11(5-8-12)6-9-14-13(15(17)18)3-2-10-16-14/h2-10H,1H3,(H,17,18)/b9-6+.
What are the key properties of 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid?
2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methoxyphenyl)ethenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 22722084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).