3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid

C14H10FNO4 — CID 70069253

IUPAC3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
SMILESO=C(O)C=C(O)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C14H10FNO4/c15-9-3-5-10(6-4-9)20-14-11(2-1-7-16-14)12(17)8-13(18)19/h1-8,17H,(H,18,19)
InChIKeyDXWKNTSJLJIOEK-UHFFFAOYSA-N
MW275.24 g/mol
LogP3.00
Rot. Bonds4

About 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid

3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid (PubChem CID 70069253) has the molecular formula C14H10FNO4 and a molecular weight of 275.24 g/mol. Its IUPAC name is 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
PubChem CID70069253
Molecular FormulaC14H10FNO4
Molecular Weight275.24 g/mol
Exact Mass275.06
IUPAC Name3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
SMILESO=C(O)C=C(O)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C14H10FNO4/c15-9-3-5-10(6-4-9)20-14-11(2-1-7-16-14)12(17)8-13(18)19/h1-8,17H,(H,18,19)
InChIKeyDXWKNTSJLJIOEK-UHFFFAOYSA-N
XLogP3.00
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-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

2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
1-[2-(4-fluorophenoxy)-3-pyridinyl]-2-phenoxyethanone
CID 22612434
2-(4-fluorophenoxy)pyridin-3-ol
CID 59089126
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
[(1R)-1-(4-fluorophenyl)ethyl] 2-phenoxypyridine-3-carboxylate
CID 30925633
2-(4-chlorophenoxy)pyridine-3-carboxylic acid
CID 609454
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
N-(2,4-dichlorophenyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 612195
2-(4-fluorophenoxy)-N-[(1S)-1-thiophen-2-ylethyl]pyridine-3-carboxamide
CID 18734935
2-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 175967809
1-[2-(4-methylsulfanylphenoxy)-3-pyridinyl]ethanone
CID 114055674
2-(4-bromo-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 65203992

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid?
The IUPAC name of 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid (CID 70069253) is 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid?
The canonical SMILES for 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid is O=C(O)C=C(O)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid?
The InChIKey is DXWKNTSJLJIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO4/c15-9-3-5-10(6-4-9)20-14-11(2-1-7-16-14)12(17)8-13(18)19/h1-8,17H,(H,18,19).
What are the key properties of 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid?
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid has a molecular weight of 275.24 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid is sourced from PubChem (CID 70069253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).