3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid

C15H14FNO3 — CID 104573292

IUPAC3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid
SMILESCOc1cc(C(Cc2ccccc2F)C(=O)O)ccn1
InChIInChI=1S/C15H14FNO3/c1-20-14-9-10(6-7-17-14)12(15(18)19)8-11-4-2-3-5-13(11)16/h2-7,9,12H,8H2,1H3,(H,18,19)
InChIKeyRHNKYEBGWHZQPK-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.64
Rot. Bonds5

About 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid

3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid (PubChem CID 104573292) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid
PubChem CID104573292
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid
SMILESCOc1cc(C(Cc2ccccc2F)C(=O)O)ccn1
InChIInChI=1S/C15H14FNO3/c1-20-14-9-10(6-7-17-14)12(15(18)19)8-11-4-2-3-5-13(11)16/h2-7,9,12H,8H2,1H3,(H,18,19)
InChIKeyRHNKYEBGWHZQPK-UHFFFAOYSA-N
XLogP2.64
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-3-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950993
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
3-(2-fluorophenyl)-2-(4-nitro-2-pyridinyl)propanoic acid
CID 104573253
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid
CID 113428270
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
3-(2,3-dimethoxyphenyl)-2-(3-fluoro-4-methylphenyl)propanoic acid
CID 83951379
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
3-(2-hydroxy-4-methoxyphenyl)-2-phenylpropanoic acid
CID 22680594
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid (CID 104573292) is 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid is COc1cc(C(Cc2ccccc2F)C(=O)O)ccn1.
What is the InChIKey of 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid?
The InChIKey is RHNKYEBGWHZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-14-9-10(6-7-17-14)12(15(18)19)8-11-4-2-3-5-13(11)16/h2-7,9,12H,8H2,1H3,(H,18,19).
What are the key properties of 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid?
3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid has a molecular weight of 275.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(2-methoxy-4-pyridinyl)propanoic acid is sourced from PubChem (CID 104573292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).