(3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid

C23H16FNO5 — CID 125122374

IUPAC(3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C[C@H](c1cccnc1)c1c(O)ccc2c(=O)c(-c3ccccc3F)coc12
InChIInChI=1S/C23H16FNO5/c24-18-6-2-1-5-14(18)17-12-30-23-15(22(17)29)7-8-19(26)21(23)16(10-20(27)28)13-4-3-9-25-11-13/h1-9,11-12,16,26H,10H2,(H,27,28)/t16-/m1/s1
InChIKeyILQWTVJRMXOJPM-MRXNPFEDSA-N
MW405.38 g/mol
LogP4.31
Rot. Bonds5

About (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid

(3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid (PubChem CID 125122374) has the molecular formula C23H16FNO5 and a molecular weight of 405.38 g/mol. Its IUPAC name is (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid
PubChem CID125122374
Molecular FormulaC23H16FNO5
Molecular Weight405.38 g/mol
Exact Mass405.10
IUPAC Name(3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C[C@H](c1cccnc1)c1c(O)ccc2c(=O)c(-c3ccccc3F)coc12
InChIInChI=1S/C23H16FNO5/c24-18-6-2-1-5-14(18)17-12-30-23-15(22(17)29)7-8-19(26)21(23)16(10-20(27)28)13-4-3-9-25-11-13/h1-9,11-12,16,26H,10H2,(H,27,28)/t16-/m1/s1
InChIKeyILQWTVJRMXOJPM-MRXNPFEDSA-N
XLogP4.31
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic 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

(3S)-3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]-3-pyridin-3-ylpropanoic acid
CID 124850181
methyl 4-[1-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-methoxy-3-oxopropyl]benzoate
CID 71826380
methyl (3R)-3-(3,4-dimethylphenyl)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]propanoate
CID 97425392
3-pyridazin-3-yl-3-pyridin-3-ylpropanoic acid
CID 116833952
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
methyl (3R)-3-(1,3-benzodioxol-5-yl)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]propanoate
CID 97424866
methyl (3R)-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]-3-pyridin-3-ylpropanoate
CID 125430358
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
3-pyridin-3-yl-3-pyrrol-1-ylpropanoic acid
CID 82471434
7-hydroxy-3-phenyl-8-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]chromen-4-one
CID 29148177
3-(dimethylamino)-3-pyridin-3-ylpropanoic acid
CID 64526600
methyl (3R)-3-pyridin-3-yl-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
CID 97488572

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid (CID 125122374) is (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid is O=C(O)C[C@H](c1cccnc1)c1c(O)ccc2c(=O)c(-c3ccccc3F)coc12.
What is the InChIKey of (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid?
The InChIKey is ILQWTVJRMXOJPM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H16FNO5/c24-18-6-2-1-5-14(18)17-12-30-23-15(22(17)29)7-8-19(26)21(23)16(10-20(27)28)13-4-3-9-25-11-13/h1-9,11-12,16,26H,10H2,(H,27,28)/t16-/m1/s1.
What are the key properties of (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid?
(3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid has a molecular weight of 405.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(2-fluorophenyl)-7-hydroxy-4-oxochromen-8-yl]-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 125122374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).