3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid

C15H14FNO2 — CID 113428270

IUPAC3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccc(C(Cc2ccccc2F)C(=O)O)n1
InChIInChI=1S/C15H14FNO2/c1-10-5-4-8-14(17-10)12(15(18)19)9-11-6-2-3-7-13(11)16/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyHKUXERIZNSZCAB-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.94
Rot. Bonds4

About 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid

3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid (PubChem CID 113428270) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid
PubChem CID113428270
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid
SMILESCc1cccc(C(Cc2ccccc2F)C(=O)O)n1
InChIInChI=1S/C15H14FNO2/c1-10-5-4-8-14(17-10)12(15(18)19)9-11-6-2-3-7-13(11)16/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyHKUXERIZNSZCAB-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-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
3-(2-fluorophenyl)-2-(4-nitro-2-pyridinyl)propanoic acid
CID 104573253
2-(4-chloro-2-phenyl-1H-imidazol-5-yl)-3-(2-fluorophenyl)propanoic acid
CID 70579057
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
2-fluoro-4-(2-fluorophenyl)-3-methylbutanoic acid
CID 114832240
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid
CID 104573292
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid (CID 113428270) is 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid is Cc1cccc(C(Cc2ccccc2F)C(=O)O)n1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid?
The InChIKey is HKUXERIZNSZCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-5-4-8-14(17-10)12(15(18)19)9-11-6-2-3-7-13(11)16/h2-8,12H,9H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid?
3-(2-fluorophenyl)-2-(6-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-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 113428270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).