3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid

C15H14FNO2 — CID 104572984

IUPAC3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)nc1
InChIInChI=1S/C15H14FNO2/c1-10-2-7-14(17-9-10)13(15(18)19)8-11-3-5-12(16)6-4-11/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyKXOFUJPBUKXBOE-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.94
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid

3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid (PubChem CID 104572984) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
PubChem CID104572984
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
SMILESCc1ccc(C(Cc2ccc(F)cc2)C(=O)O)nc1
InChIInChI=1S/C15H14FNO2/c1-10-2-7-14(17-9-10)13(15(18)19)8-11-3-5-12(16)6-4-11/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyKXOFUJPBUKXBOE-UHFFFAOYSA-N
XLogP2.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
3-(3-methylphenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572623
2-(2,4-dimethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 83955681
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020847
3-phenyl-2-[5-(trifluoromethyl)-2-pyridinyl]propanoic acid
CID 104571555
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-(5-bromopyrimidin-2-yl)-3-(4-methylphenyl)propanoic acid
CID 104573110
2-(5-methoxy-2-pyridinyl)-3-(3-methylphenyl)propanoic acid
CID 106505340
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid (CID 104572984) is 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid is Cc1ccc(C(Cc2ccc(F)cc2)C(=O)O)nc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
The InChIKey is KXOFUJPBUKXBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-2-7-14(17-9-10)13(15(18)19)8-11-3-5-12(16)6-4-11/h2-7,9,13H,8H2,1H3,(H,18,19).
What are the key properties of 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid?
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid has a molecular weight of 259.28 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 104572984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).