3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid

C14H12FNO2 — CID 104572700

IUPAC3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1)c1ccncc1
InChIInChI=1S/C14H12FNO2/c15-12-3-1-2-10(8-12)9-13(14(17)18)11-4-6-16-7-5-11/h1-8,13H,9H2,(H,17,18)
InChIKeyZIHQRDRVDIXHAQ-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.63
Rot. Bonds4

About 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid

3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid (PubChem CID 104572700) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
PubChem CID104572700
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1)c1ccncc1
InChIInChI=1S/C14H12FNO2/c15-12-3-1-2-10(8-12)9-13(14(17)18)11-4-6-16-7-5-11/h1-8,13H,9H2,(H,17,18)
InChIKeyZIHQRDRVDIXHAQ-UHFFFAOYSA-N
XLogP2.63
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572711
disodium;2-[(3-fluorophenyl)methyl]propanedioic acid;hydride
CID 174597525
2-(5-bromopyrimidin-4-yl)-3-(3-fluorophenyl)propanoic acid
CID 113428182
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
4-(3-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008506
3-(3-fluorophenyl)-2-phosphonopropanoic acid
CID 152753781
1,5-bis(3-fluorophenyl)-2,4-bis(4-methylsulfanylphenyl)pentan-3-one
CID 174373565
3-(3-fluorophenyl)-2-(6-methoxypyrazin-2-yl)propanoic acid
CID 104572677
3-(3-fluorophenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572725
3-(3-hydroxyphenyl)-2-phenylpropanoic acid
CID 75532125
N-(3-fluorophenyl)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110425726
(2S)-2,3-diphenylpropanoic acid
CID 737125

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid (CID 104572700) is 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid is O=C(O)C(Cc1cccc(F)c1)c1ccncc1.
What is the InChIKey of 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid?
The InChIKey is ZIHQRDRVDIXHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-12-3-1-2-10(8-12)9-13(14(17)18)11-4-6-16-7-5-11/h1-8,13H,9H2,(H,17,18).
What are the key properties of 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid?
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid has a molecular weight of 245.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 104572700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).