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

C14H10FNO2 — CID 75177444

IUPAC3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(-c2cccnc2)c(F)c1
InChIInChI=1S/C14H10FNO2/c15-13-8-10(4-6-14(17)18)3-5-12(13)11-2-1-7-16-9-11/h1-9H,(H,17,18)
InChIKeyQSZBWLWWRHRKTE-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.99
Rot. Bonds3

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

3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid (PubChem CID 75177444) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid
PubChem CID75177444
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(-c2cccnc2)c(F)c1
InChIInChI=1S/C14H10FNO2/c15-13-8-10(4-6-14(17)18)3-5-12(13)11-2-1-7-16-9-11/h1-9H,(H,17,18)
InChIKeyQSZBWLWWRHRKTE-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-(3-fluoro-4-pyridin-3-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-[3-fluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 107692327
3-fluoro-4-pyridin-3-ylphenol
CID 46315770
3-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoic acid
CID 79881578
(E)-3-[3-fluoro-4-[2-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 134620145
2-fluoro-6-pyridin-3-ylbenzoic acid
CID 46315544
(E)-3-isoquinolin-6-ylprop-2-enoic acid
CID 82580093
(E)-3-(3,4-difluorophenyl)prop-2-enal;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
CID 160530317
3-[3-fluoro-4-(phenoxymethyl)phenyl]prop-2-enoic acid
CID 76908633
3,4-difluorobenzaldehyde;(E)-3-(3,4-difluorophenyl)prop-2-enoic acid
CID 163846327
(E)-3-[3-fluoro-4-[3-[heptylcarbamoyl(methyl)amino]phenyl]phenyl]prop-2-enoic acid
CID 11575170
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
3-(3-fluoro-4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 66960769

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid?
The IUPAC name of 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid (CID 75177444) is 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid is O=C(O)C=Cc1ccc(-c2cccnc2)c(F)c1.
What is the InChIKey of 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid?
The InChIKey is QSZBWLWWRHRKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c15-13-8-10(4-6-14(17)18)3-5-12(13)11-2-1-7-16-9-11/h1-9H,(H,17,18).
What are the key properties of 3-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid?
3-(3-fluoro-4-pyridin-3-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-(3-fluoro-4-pyridin-3-ylphenyl)prop-2-enoic acid is sourced from PubChem (CID 75177444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).