2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid

C7H7BrN2O3 — CID 175594359

IUPAC2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid
SMILESO=C(O)CNc1ncc(Br)cc1O
InChIInChI=1S/C7H7BrN2O3/c8-4-1-5(11)7(9-2-4)10-3-6(12)13/h1-2,11H,3H2,(H,9,10)(H,12,13)
InChIKeyNNZPZIUHFODBJW-UHFFFAOYSA-N
MW247.05 g/mol
LogP1.05
Rot. Bonds3

About 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid

2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid (PubChem CID 175594359) has the molecular formula C7H7BrN2O3 and a molecular weight of 247.05 g/mol. Its IUPAC name is 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid
PubChem CID175594359
Molecular FormulaC7H7BrN2O3
Molecular Weight247.05 g/mol
Exact Mass245.96
IUPAC Name2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid
SMILESO=C(O)CNc1ncc(Br)cc1O
InChIInChI=1S/C7H7BrN2O3/c8-4-1-5(11)7(9-2-4)10-3-6(12)13/h1-2,11H,3H2,(H,9,10)(H,12,13)
InChIKeyNNZPZIUHFODBJW-UHFFFAOYSA-N
XLogP1.05
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid (CID 175594359) is 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid is O=C(O)CNc1ncc(Br)cc1O.
What is the InChIKey of 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid?
The InChIKey is NNZPZIUHFODBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O3/c8-4-1-5(11)7(9-2-4)10-3-6(12)13/h1-2,11H,3H2,(H,9,10)(H,12,13).
What are the key properties of 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid?
2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid has a molecular weight of 247.05 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-hydroxy-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 175594359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).