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

C15H14BrNO3 — CID 104572566

IUPAC3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1cccnc1C(Cc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C15H14BrNO3/c1-20-13-3-2-8-17-14(13)12(15(18)19)9-10-4-6-11(16)7-5-10/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyDCJIYGXNIGRBLH-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.26
Rot. Bonds5

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

3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid (PubChem CID 104572566) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
PubChem CID104572566
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1cccnc1C(Cc1ccc(Br)cc1)C(=O)O
InChIInChI=1S/C15H14BrNO3/c1-20-13-3-2-8-17-14(13)12(15(18)19)9-10-4-6-11(16)7-5-10/h2-8,12H,9H2,1H3,(H,18,19)
InChIKeyDCJIYGXNIGRBLH-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-(4-bromophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053743
3-(2-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid
CID 104572490
2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 86811528
(2S)-2-(3-methoxy-2-pyridinyl)-4-methylpentanoic acid
CID 98041226
2-(3-methoxy-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572925
1-(3-methoxy-2-pyridinyl)-2-phenylethanol
CID 114053626
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
2-(4-fluorophenyl)-1-(3-methoxy-2-pyridinyl)ethanol
CID 114053745
2-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 131887523
3-(4-ethoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 82094741
2-(3-bromo-5-methyl-2-pyridinyl)-3-(4-bromophenyl)propanoic acid
CID 105368877
(4-bromophenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114053803

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
The IUPAC name of 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid (CID 104572566) is 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid is COc1cccnc1C(Cc1ccc(Br)cc1)C(=O)O.
What is the InChIKey of 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
The InChIKey is DCJIYGXNIGRBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-20-13-3-2-8-17-14(13)12(15(18)19)9-10-4-6-11(16)7-5-10/h2-8,12H,9H2,1H3,(H,18,19).
What are the key properties of 3-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid?
3-(4-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-(4-bromophenyl)-2-(3-methoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 104572566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).