3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid

C15H14BrNO2 — CID 113482995

IUPAC3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid
SMILESCc1cc(C(Cc2cccc(Br)c2)C(=O)O)ccn1
InChIInChI=1S/C15H14BrNO2/c1-10-7-12(5-6-17-10)14(15(18)19)9-11-3-2-4-13(16)8-11/h2-8,14H,9H2,1H3,(H,18,19)
InChIKeyFRVASCAVKWHVOW-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.56
Rot. Bonds4

About 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid

3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid (PubChem CID 113482995) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid
PubChem CID113482995
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid
SMILESCc1cc(C(Cc2cccc(Br)c2)C(=O)O)ccn1
InChIInChI=1S/C15H14BrNO2/c1-10-7-12(5-6-17-10)14(15(18)19)9-11-3-2-4-13(16)8-11/h2-8,14H,9H2,1H3,(H,18,19)
InChIKeyFRVASCAVKWHVOW-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

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Related Compounds

2-(3-bromophenyl)-3-(4-ethylphenyl)propanoic acid
CID 79441100
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4-[2-(3-bromophenyl)-2-carboxyethyl]benzoic acid
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2-(5-bromo-4-methoxypyrimidin-2-yl)-3-(3-bromophenyl)propanoic acid
CID 107000020
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
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3-(3-bromophenyl)-2-(4-ethyl-1,3-thiazol-2-yl)propanoic acid
CID 104573231
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
(2R)-3-(3-bromophenyl)-2-cyanopropanoic acid
CID 27281633
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
CID 104572700
3-(3-bromophenyl)-2-(3-nitro-4-pyridinyl)propanoic acid
CID 104573176
(2S)-2-(aminomethyl)-3-(3-bromophenyl)propanoic acid
CID 11962264
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CID 67126232

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid (CID 113482995) is 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid is Cc1cc(C(Cc2cccc(Br)c2)C(=O)O)ccn1.
What is the InChIKey of 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid?
The InChIKey is FRVASCAVKWHVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-10-7-12(5-6-17-10)14(15(18)19)9-11-3-2-4-13(16)8-11/h2-8,14H,9H2,1H3,(H,18,19).
What are the key properties of 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid?
3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)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 3-(3-bromophenyl)-2-(2-methyl-4-pyridinyl)propanoic acid is sourced from PubChem (CID 113482995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).