3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid

C14H11BrFNO2 — CID 104800741

IUPAC3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Br)cn1)c1cccc(F)c1
InChIInChI=1S/C14H11BrFNO2/c15-10-4-5-12(17-8-10)7-13(14(18)19)9-2-1-3-11(16)6-9/h1-6,8,13H,7H2,(H,18,19)
InChIKeyRXBDSQJLYRSNKS-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.39
Rot. Bonds4

About 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid

3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid (PubChem CID 104800741) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
PubChem CID104800741
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Br)cn1)c1cccc(F)c1
InChIInChI=1S/C14H11BrFNO2/c15-10-4-5-12(17-8-10)7-13(14(18)19)9-2-1-3-11(16)6-9/h1-6,8,13H,7H2,(H,18,19)
InChIKeyRXBDSQJLYRSNKS-UHFFFAOYSA-N
XLogP3.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid
CID 79440093
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79440777
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440857
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 104801496
3-(1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)propanoic acid
CID 104631531
3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 79440337
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid (CID 104800741) is 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Br)cn1)c1cccc(F)c1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid?
The InChIKey is RXBDSQJLYRSNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-10-4-5-12(17-8-10)7-13(14(18)19)9-2-1-3-11(16)6-9/h1-6,8,13H,7H2,(H,18,19).
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid?
3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid has a molecular weight of 324.15 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 104800741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).