2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid

C9H7BrN2O3 — CID 98055653

IUPAC2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)N=C2C=CC(Br)=CN21
InChIInChI=1S/C9H7BrN2O3/c10-5-1-2-7-11-9(15)6(3-8(13)14)12(7)4-5/h1-2,4,6H,3H2,(H,13,14)/t6-/m1/s1
InChIKeyJUALUODMCGTARR-ZCFIWIBFSA-N
MW271.07 g/mol
LogP0.88
Rot. Bonds2

About 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid

2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 98055653) has the molecular formula C9H7BrN2O3 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID98055653
Molecular FormulaC9H7BrN2O3
Molecular Weight271.07 g/mol
Exact Mass269.96
IUPAC Name2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1C(=O)N=C2C=CC(Br)=CN21
InChIInChI=1S/C9H7BrN2O3/c10-5-1-2-7-11-9(15)6(3-8(13)14)12(7)4-5/h1-2,4,6H,3H2,(H,13,14)/t6-/m1/s1
InChIKeyJUALUODMCGTARR-ZCFIWIBFSA-N
XLogP0.88
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid (CID 98055653) is 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid is O=C(O)C[C@@H]1C(=O)N=C2C=CC(Br)=CN21.
What is the InChIKey of 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is JUALUODMCGTARR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H7BrN2O3/c10-5-1-2-7-11-9(15)6(3-8(13)14)12(7)4-5/h1-2,4,6H,3H2,(H,13,14)/t6-/m1/s1.
What are the key properties of 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 271.07 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-6-bromo-2-oxo-3H-imidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 98055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).