3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid

C15H14BrNO3 — CID 104572490

IUPAC3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1cccnc1C(Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C15H14BrNO3/c1-20-13-7-4-8-17-14(13)11(15(18)19)9-10-5-2-3-6-12(10)16/h2-8,11H,9H2,1H3,(H,18,19)
InChIKeyGRLDJTRIMJTION-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.26
Rot. Bonds5

About 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid

3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid (PubChem CID 104572490) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
PubChem CID104572490
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1cccnc1C(Cc1ccccc1Br)C(=O)O
InChIInChI=1S/C15H14BrNO3/c1-20-13-7-4-8-17-14(13)11(15(18)19)9-10-5-2-3-6-12(10)16/h2-8,11H,9H2,1H3,(H,18,19)
InChIKeyGRLDJTRIMJTION-UHFFFAOYSA-N
XLogP3.26
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572566
2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
3-(2-chlorophenyl)-2-(3-chloro-2-pyridinyl)propanoic acid
CID 113428198
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
3-(2-bromophenyl)-2-(3-methyl-1,2,4-thiadiazol-5-yl)propanoic acid
CID 104572509
2-(3-bromo-4-methyl-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 106879271
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid (CID 104572490) is 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid is COc1cccnc1C(Cc1ccccc1Br)C(=O)O.
What is the InChIKey of 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
The InChIKey is GRLDJTRIMJTION-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-20-13-7-4-8-17-14(13)11(15(18)19)9-10-5-2-3-6-12(10)16/h2-8,11H,9H2,1H3,(H,18,19).
What are the key properties of 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid has a molecular weight of 336.19 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 104572490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).