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

C14H11NO2 — CID 23061534

IUPAC3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1/C=C/c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(17)13-12(7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b9-8+
InChIKeySWHRHZCHAQSEHY-CMDGGOBGSA-N
MW225.25 g/mol
LogP2.95
Rot. Bonds3

About 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid

3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid (PubChem CID 23061534) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
PubChem CID23061534
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1/C=C/c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(17)13-12(7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b9-8+
InChIKeySWHRHZCHAQSEHY-CMDGGOBGSA-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

Analyze 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-phenylethenyl)-2-pyridinyl] acetate
CID 175048003
3-(4-methoxy-4-oxobut-1-enyl)pyridine-2-carboxylic acid
CID 170500957
2-[2-[2-(2-phenylethenyl)phenyl]ethenyl]pyridine
CID 154926324
3-(3-azidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169461810
2-[2-(2-phenylethenyl)phenyl]pyrimidine
CID 141475746
5-(2-phenylethenyl)-1,3-thiazole-4-carboxylic acid
CID 174437108
3-[2-(2-phenylethenyl)phenyl]prop-2-enoic acid
CID 70472676
2-[2-(2-phenylethenyl)phenyl]pyridine
CID 67528933
bis(1,2-bis[(E)-2-phenylethenyl]benzene);sulfane
CID 68618408
pyridine-2,3-dicarboxylic acid
CID 1066
3-phenylpyridine-2-carboxylic acid
CID 2762789
(NE)-N-[[2-[(E)-2-phenylethenyl]-3-pyridinyl]methylidene]hydroxylamine
CID 162652329

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid (CID 23061534) is 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid is O=C(O)c1ncccc1/C=C/c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
The InChIKey is SWHRHZCHAQSEHY-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)13-12(7-4-10-15-13)9-8-11-5-2-1-3-6-11/h1-10H,(H,16,17)/b9-8+.
What are the key properties of 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid?
3-[(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 3-[(E)-2-phenylethenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 23061534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).