5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid

C14H10ClNO2 — CID 15121207

IUPAC5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(/C=C/c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H10ClNO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(14(17)18)16-9-11/h1-9H,(H,17,18)/b2-1+
InChIKeyGAHIJMYWGZHPSS-OWOJBTEDSA-N
MW259.69 g/mol
LogP3.60
Rot. Bonds3

About 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid

5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid (PubChem CID 15121207) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid
PubChem CID15121207
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(/C=C/c2ccc(Cl)cc2)cn1
InChIInChI=1S/C14H10ClNO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(14(17)18)16-9-11/h1-9H,(H,17,18)/b2-1+
InChIKeyGAHIJMYWGZHPSS-OWOJBTEDSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid (CID 15121207) is 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(/C=C/c2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid?
The InChIKey is GAHIJMYWGZHPSS-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-12-6-3-10(4-7-12)1-2-11-5-8-13(14(17)18)16-9-11/h1-9H,(H,17,18)/b2-1+.
What are the key properties of 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid?
5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid has a molecular weight of 259.69 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-chlorophenyl)ethenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 15121207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).