2-(4-amino-5-bromo-3-pyridinyl)acetic acid

C7H7BrN2O2 — CID 131050880

IUPAC2-(4-amino-5-bromo-3-pyridinyl)acetic acid
SMILESNc1c(Br)cncc1CC(=O)O
InChIInChI=1S/C7H7BrN2O2/c8-5-3-10-2-4(7(5)9)1-6(11)12/h2-3H,1H2,(H2,9,10)(H,11,12)
InChIKeyUKNGIGAVJVPJAX-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.05
Rot. Bonds2

About 2-(4-amino-5-bromo-3-pyridinyl)acetic acid

2-(4-amino-5-bromo-3-pyridinyl)acetic acid (PubChem CID 131050880) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-(4-amino-5-bromo-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5-bromo-3-pyridinyl)acetic acid
PubChem CID131050880
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name2-(4-amino-5-bromo-3-pyridinyl)acetic acid
SMILESNc1c(Br)cncc1CC(=O)O
InChIInChI=1S/C7H7BrN2O2/c8-5-3-10-2-4(7(5)9)1-6(11)12/h2-3H,1H2,(H2,9,10)(H,11,12)
InChIKeyUKNGIGAVJVPJAX-UHFFFAOYSA-N
XLogP1.05
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.05
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-bromo-3-pyridinyl)acetic acid?
The IUPAC name of 2-(4-amino-5-bromo-3-pyridinyl)acetic acid (CID 131050880) is 2-(4-amino-5-bromo-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-amino-5-bromo-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-amino-5-bromo-3-pyridinyl)acetic acid is Nc1c(Br)cncc1CC(=O)O.
What is the InChIKey of 2-(4-amino-5-bromo-3-pyridinyl)acetic acid?
The InChIKey is UKNGIGAVJVPJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-5-3-10-2-4(7(5)9)1-6(11)12/h2-3H,1H2,(H2,9,10)(H,11,12).
What are the key properties of 2-(4-amino-5-bromo-3-pyridinyl)acetic acid?
2-(4-amino-5-bromo-3-pyridinyl)acetic acid has a molecular weight of 231.05 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-bromo-3-pyridinyl)acetic acid is sourced from PubChem (CID 131050880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).