2-(2-bromo-3-pyridinyl)acetic acid

C7H6BrNO2 — CID 82613865

IUPAC2-(2-bromo-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cccnc1Br
InChIInChI=1S/C7H6BrNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChIKeyPIFJMOYWRSHXBF-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.47
Rot. Bonds2

About 2-(2-bromo-3-pyridinyl)acetic acid

2-(2-bromo-3-pyridinyl)acetic acid (PubChem CID 82613865) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 2-(2-bromo-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(2-bromo-3-pyridinyl)acetic acid
PubChem CID82613865
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name2-(2-bromo-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cccnc1Br
InChIInChI=1S/C7H6BrNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11)
InChIKeyPIFJMOYWRSHXBF-UHFFFAOYSA-N
XLogP1.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-pyridinyl)acetic acid?
The IUPAC name of 2-(2-bromo-3-pyridinyl)acetic acid (CID 82613865) is 2-(2-bromo-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(2-bromo-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(2-bromo-3-pyridinyl)acetic acid is O=C(O)Cc1cccnc1Br.
What is the InChIKey of 2-(2-bromo-3-pyridinyl)acetic acid?
The InChIKey is PIFJMOYWRSHXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-7-5(4-6(10)11)2-1-3-9-7/h1-3H,4H2,(H,10,11).
What are the key properties of 2-(2-bromo-3-pyridinyl)acetic acid?
2-(2-bromo-3-pyridinyl)acetic acid has a molecular weight of 216.03 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-pyridinyl)acetic acid is sourced from PubChem (CID 82613865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).