3-(2-pyridin-4-ylphenyl)prop-2-enoic acid

C14H11NO2 — CID 175341488

IUPAC3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1-c1ccncc1
InChIInChI=1S/C14H11NO2/c16-14(17)6-5-11-3-1-2-4-13(11)12-7-9-15-10-8-12/h1-10H,(H,16,17)
InChIKeyCYTDMPWOQDBKFW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.85
Rot. Bonds3

About 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid

3-(2-pyridin-4-ylphenyl)prop-2-enoic acid (PubChem CID 175341488) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
PubChem CID175341488
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccccc1-c1ccncc1
InChIInChI=1S/C14H11NO2/c16-14(17)6-5-11-3-1-2-4-13(11)12-7-9-15-10-8-12/h1-10H,(H,16,17)
InChIKeyCYTDMPWOQDBKFW-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid
CID 46315662
(E)-4-(2-pyridin-4-ylphenyl)but-3-enoic acid
CID 19926633
3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 75177433
(Z)-3-[2-(4-acetamidophenyl)phenyl]prop-2-enoic acid
CID 175439123
[phenoxy(phenyl)methyl] (E)-3-(2-pyridin-4-ylphenyl)prop-2-enoate
CID 175341483
3-[2-(1H-pyrazol-5-yl)phenyl]prop-2-enoic acid
CID 67830462
(E)-3-[2-(4-methoxycarbonylphenyl)phenyl]prop-2-enoic acid
CID 170872378
(E)-3-[2-(2-ethenylphenyl)phenyl]prop-2-enoic acid
CID 68869387
4-[2-(2-phenylphenyl)ethenyl]pyridine
CID 141095127
(E)-3-(2-methyl-3-phenylphenyl)prop-2-enoic acid
CID 135366690
(E)-3-[2-(3-bromophenyl)phenyl]prop-2-enoic acid
CID 22990266

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid (CID 175341488) is 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid is O=C(O)C=Cc1ccccc1-c1ccncc1.
What is the InChIKey of 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid?
The InChIKey is CYTDMPWOQDBKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(17)6-5-11-3-1-2-4-13(11)12-7-9-15-10-8-12/h1-10H,(H,16,17).
What are the key properties of 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid?
3-(2-pyridin-4-ylphenyl)prop-2-enoic acid has a molecular weight of 225.25 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-4-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 175341488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).