3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid

C14H10FNO2 — CID 75177433

IUPAC3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1cc(F)ccc1-c1ccncc1
InChIInChI=1S/C14H10FNO2/c15-12-2-3-13(10-5-7-16-8-6-10)11(9-12)1-4-14(17)18/h1-9H,(H,17,18)
InChIKeyMRKOTNTWLQWHGL-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.99
Rot. Bonds3

About 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid

3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid (PubChem CID 75177433) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
PubChem CID75177433
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1cc(F)ccc1-c1ccncc1
InChIInChI=1S/C14H10FNO2/c15-12-2-3-13(10-5-7-16-8-6-10)11(9-12)1-4-14(17)18/h1-9H,(H,17,18)
InChIKeyMRKOTNTWLQWHGL-UHFFFAOYSA-N
XLogP2.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic 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

(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
CID 46312483
3-(2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 175341488
(E)-3-(2-fluoro-3-pyridin-4-ylphenyl)prop-2-enoic acid
CID 46315662
(E)-3-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 118822082
3-(2-fluoro-5-pyridin-4-ylphenyl)prop-2-enoic acid
CID 75177447
(E)-3-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134622161
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
CID 134627735
3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460406
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid (CID 75177433) is 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid is O=C(O)C=Cc1cc(F)ccc1-c1ccncc1.
What is the InChIKey of 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid?
The InChIKey is MRKOTNTWLQWHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-12-2-3-13(10-5-7-16-8-6-10)11(9-12)1-4-14(17)18/h1-9H,(H,17,18).
What are the key properties of 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid?
3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid has a molecular weight of 243.24 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 75177433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).