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

C7H7BrN2O2 — CID 131117087

IUPAC2-(3-amino-4-bromo-2-pyridinyl)acetic acid
SMILESNc1c(Br)ccnc1CC(=O)O
InChIInChI=1S/C7H7BrN2O2/c8-4-1-2-10-5(7(4)9)3-6(11)12/h1-2H,3,9H2,(H,11,12)
InChIKeyAGSUPVMQZIDLSC-UHFFFAOYSA-N
MW231.05 g/mol
LogP1.05
Rot. Bonds2

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

2-(3-amino-4-bromo-2-pyridinyl)acetic acid (PubChem CID 131117087) has the molecular formula C7H7BrN2O2 and a molecular weight of 231.05 g/mol. Its IUPAC name is 2-(3-amino-4-bromo-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4-bromo-2-pyridinyl)acetic acid
PubChem CID131117087
Molecular FormulaC7H7BrN2O2
Molecular Weight231.05 g/mol
Exact Mass229.97
IUPAC Name2-(3-amino-4-bromo-2-pyridinyl)acetic acid
SMILESNc1c(Br)ccnc1CC(=O)O
InChIInChI=1S/C7H7BrN2O2/c8-4-1-2-10-5(7(4)9)3-6(11)12/h1-2H,3,9H2,(H,11,12)
InChIKeyAGSUPVMQZIDLSC-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-(3-amino-4-bromo-2-pyridinyl)acetic acid?
The IUPAC name of 2-(3-amino-4-bromo-2-pyridinyl)acetic acid (CID 131117087) is 2-(3-amino-4-bromo-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-amino-4-bromo-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-amino-4-bromo-2-pyridinyl)acetic acid is Nc1c(Br)ccnc1CC(=O)O.
What is the InChIKey of 2-(3-amino-4-bromo-2-pyridinyl)acetic acid?
The InChIKey is AGSUPVMQZIDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O2/c8-4-1-2-10-5(7(4)9)3-6(11)12/h1-2H,3,9H2,(H,11,12).
What are the key properties of 2-(3-amino-4-bromo-2-pyridinyl)acetic acid?
2-(3-amino-4-bromo-2-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-(3-amino-4-bromo-2-pyridinyl)acetic acid is sourced from PubChem (CID 131117087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).