6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid

C14H11NO2 — CID 13209521

IUPAC6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C14H11NO2/c16-14(17)13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b10-9+
InChIKeyMFSODSPULJWESH-MDZDMXLPSA-N
MW225.25 g/mol
LogP2.95
Rot. Bonds3

About 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid

6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid (PubChem CID 13209521) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
PubChem CID13209521
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(/C=C/c2ccccc2)n1
InChIInChI=1S/C14H11NO2/c16-14(17)13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b10-9+
InChIKeyMFSODSPULJWESH-MDZDMXLPSA-N
XLogP2.95
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid (CID 13209521) is 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(/C=C/c2ccccc2)n1.
What is the InChIKey of 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
The InChIKey is MFSODSPULJWESH-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)13-8-4-7-12(15-13)10-9-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b10-9+.
What are the key properties of 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 13209521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).