3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid

C7H4BrN3O2 — CID 83774485

IUPAC3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ncccn2c1Br
InChIInChI=1S/C7H4BrN3O2/c8-5-4(6(12)13)10-7-9-2-1-3-11(5)7/h1-3H,(H,12,13)
InChIKeyFUOASAGXHRWECF-UHFFFAOYSA-N
MW242.03 g/mol
LogP1.19
Rot. Bonds1

About 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid

3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 83774485) has the molecular formula C7H4BrN3O2 and a molecular weight of 242.03 g/mol. Its IUPAC name is 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID83774485
Molecular FormulaC7H4BrN3O2
Molecular Weight242.03 g/mol
Exact Mass240.95
IUPAC Name3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nc2ncccn2c1Br
InChIInChI=1S/C7H4BrN3O2/c8-5-4(6(12)13)10-7-9-2-1-3-11(5)7/h1-3H,(H,12,13)
InChIKeyFUOASAGXHRWECF-UHFFFAOYSA-N
XLogP1.19
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.03
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 83774485) is 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid is O=C(O)c1nc2ncccn2c1Br.
What is the InChIKey of 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is FUOASAGXHRWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O2/c8-5-4(6(12)13)10-7-9-2-1-3-11(5)7/h1-3H,(H,12,13).
What are the key properties of 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid?
3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 242.03 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromoimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83774485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).