6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid

C9H8BrN3O2 — CID 155885484

IUPAC6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCCc1nc2nc(C(=O)O)cn2cc1Br
InChIInChI=1S/C9H8BrN3O2/c1-2-6-5(10)3-13-4-7(8(14)15)12-9(13)11-6/h3-4H,2H2,1H3,(H,14,15)
InChIKeyDZRXTBSJEIJKPI-UHFFFAOYSA-N
MW270.09 g/mol
LogP1.75
Rot. Bonds2

About 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid

6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid (PubChem CID 155885484) has the molecular formula C9H8BrN3O2 and a molecular weight of 270.09 g/mol. Its IUPAC name is 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
PubChem CID155885484
Molecular FormulaC9H8BrN3O2
Molecular Weight270.09 g/mol
Exact Mass268.98
IUPAC Name6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
SMILESCCc1nc2nc(C(=O)O)cn2cc1Br
InChIInChI=1S/C9H8BrN3O2/c1-2-6-5(10)3-13-4-7(8(14)15)12-9(13)11-6/h3-4H,2H2,1H3,(H,14,15)
InChIKeyDZRXTBSJEIJKPI-UHFFFAOYSA-N
XLogP1.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-7-(phosphonomethyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 15285849
6-(3,5-dimethylphenyl)imidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 117000217
4-(4-bromo-3-ethylpyrazol-1-yl)butanoic acid
CID 154882339
4,6-diethylpyridine-2,5-dicarboxylic acid
CID 67650686
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116
ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156649042
6-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]pyridine-2-carboxylic acid
CID 107464399
6-bromo-8-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 156501873
2,4-bis(methylsulfanyl)imidazo[1,2-a][1,3,5]triazine-7-carboxylic acid
CID 68592634
2-bromo-5-ethyl-3-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 166709754
7-(4-formylphenyl)-6-phenylimidazo[1,2-a]pyrimidine-2-carboxylic acid
CID 87616611
2-[(dimethylamino)methyl]-1-ethylimidazole-4-carboxylic acid
CID 117187507

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid (CID 155885484) is 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid is CCc1nc2nc(C(=O)O)cn2cc1Br.
What is the InChIKey of 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
The InChIKey is DZRXTBSJEIJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2/c1-2-6-5(10)3-13-4-7(8(14)15)12-9(13)11-6/h3-4H,2H2,1H3,(H,14,15).
What are the key properties of 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid?
6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid has a molecular weight of 270.09 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethylimidazo[1,2-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 155885484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).