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

C15H14BrNO2 — CID 104572904

IUPAC2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C15H14BrNO2/c1-10-4-2-3-5-11(10)8-13(15(18)19)14-7-6-12(16)9-17-14/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyYXUVXPCRJMTQPG-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.56
Rot. Bonds4

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

2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid (PubChem CID 104572904) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
PubChem CID104572904
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(C(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C15H14BrNO2/c1-10-4-2-3-5-11(10)8-13(15(18)19)14-7-6-12(16)9-17-14/h2-7,9,13H,8H2,1H3,(H,18,19)
InChIKeyYXUVXPCRJMTQPG-UHFFFAOYSA-N
XLogP3.56
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)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

3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104572948
2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 106879271
3-(2-methylphenyl)-2-(tetrazolo[1,5-b]pyridazin-6-yl)propanoic acid
CID 104572929
N-(5-bromo-2-pyridinyl)-N-methyl-2-(2-methylphenyl)acetamide
CID 115268319
3-(2-chlorophenyl)-2-(5-methoxy-2-pyridinyl)propanoic acid
CID 106505344
3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572914
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
2-[(2-methylphenyl)methyl]hex-4-enoic acid
CID 79421153
2-(1,3-benzothiazol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 104572950

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid (CID 104572904) is 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1CC(C(=O)O)c1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is YXUVXPCRJMTQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-4-2-3-5-11(10)8-13(15(18)19)14-7-6-12(16)9-17-14/h2-7,9,13H,8H2,1H3,(H,18,19).
What are the key properties of 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 320.19 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 104572904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).