2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid

C16H16BrNO2 — CID 106879271

IUPAC2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(C(=O)O)c1nccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-5-3-4-6-12(10)9-13(16(19)20)15-14(17)11(2)7-8-18-15/h3-8,13H,9H2,1-2H3,(H,19,20)
InChIKeyOMFUSHSXHXMRLR-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.87
Rot. Bonds4

About 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid

2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid (PubChem CID 106879271) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
PubChem CID106879271
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
SMILESCc1ccccc1CC(C(=O)O)c1nccc(C)c1Br
InChIInChI=1S/C16H16BrNO2/c1-10-5-3-4-6-12(10)9-13(16(19)20)15-14(17)11(2)7-8-18-15/h3-8,13H,9H2,1-2H3,(H,19,20)
InChIKeyOMFUSHSXHXMRLR-UHFFFAOYSA-N
XLogP3.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methyl-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 106879276
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
3-(2-methylphenyl)-2-(5-methylpyrimidin-2-yl)propanoic acid
CID 104572948
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
(2R)-2-hydroxy-3-(2-methylphenyl)propanoic acid
CID 39237237
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
2-[(2-methylphenyl)methyl]-3-pyridin-2-ylpropanoic acid
CID 79418895
3-(2-methylphenyl)-2-pyrazolo[1,5-a]pyrimidin-5-ylpropanoic acid
CID 104572914
2-(1,3-benzothiazol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 104572950
2-(hydroxymethyl)-3-(2-methylphenyl)propanoic acid
CID 22418915
2-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-3-(2-methylphenyl)propanoic acid
CID 104572946

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid (CID 106879271) is 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid is Cc1ccccc1CC(C(=O)O)c1nccc(C)c1Br.
What is the InChIKey of 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
The InChIKey is OMFUSHSXHXMRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-10-5-3-4-6-12(10)9-13(16(19)20)15-14(17)11(2)7-8-18-15/h3-8,13H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid?
2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid has a molecular weight of 334.21 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid is sourced from PubChem (CID 106879271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).