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

C15H14FNO2 — CID 112650931

IUPAC2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-4-3-7-17-14(10)9-13(15(18)19)11-5-2-6-12(16)8-11/h2-8,13H,9H2,1H3,(H,18,19)
InChIKeyYKXAUJJGZPXEBV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.94
Rot. Bonds4

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

2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (PubChem CID 112650931) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
PubChem CID112650931
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccnc1CC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C15H14FNO2/c1-10-4-3-7-17-14(10)9-13(15(18)19)11-5-2-6-12(16)8-11/h2-8,13H,9H2,1H3,(H,18,19)
InChIKeyYKXAUJJGZPXEBV-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

2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650926
2-[(3-fluorophenyl)methyl]-3-(3-methyl-2-pyridinyl)propanoic acid
CID 115982237
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
2-(2-chlorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650936
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440857
2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79440777
2-amino-3-(3-methyl-2-pyridinyl)propanoic acid
CID 3379209
1-(3,5-difluorophenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448420
3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
CID 104800741
1-(3-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114871579
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236
2-(3-fluorophenyl)-3-(4-methylphenoxy)propanoic acid
CID 117243463

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid (CID 112650931) is 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is Cc1cccnc1CC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
The InChIKey is YKXAUJJGZPXEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-4-3-7-17-14(10)9-13(15(18)19)11-5-2-6-12(16)8-11/h2-8,13H,9H2,1H3,(H,18,19).
What are the key properties of 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid?
2-(3-fluorophenyl)-3-(3-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 2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 112650931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).