3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

C8H9BrN2O2 — CID 83693098

IUPAC3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2ncc(Br)n21
InChIInChI=1S/C8H9BrN2O2/c9-6-4-10-7-3-1-2-5(8(12)13)11(6)7/h4-5H,1-3H2,(H,12,13)
InChIKeyBXINQGDTPFEKEA-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.61
Rot. Bonds1

About 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 83693098) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID83693098
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2ncc(Br)n21
InChIInChI=1S/C8H9BrN2O2/c9-6-4-10-7-3-1-2-5(8(12)13)11(6)7/h4-5H,1-3H2,(H,12,13)
InChIKeyBXINQGDTPFEKEA-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83837680
2-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 83867314
3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149368
5-bromo-1-cyclopentylimidazole-2-carboxylic acid
CID 83901767
1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84656552
(6S)-3-(ethylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid
CID 91319928
(2S)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidine-2-carboxylic acid
CID 129466930
(2R)-1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)piperidine-2-carboxylic acid
CID 129466929
6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115019326
3-(3-chlorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117149418
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149400
3-[(1,1-dioxothiolan-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149326

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (CID 83693098) is 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2ncc(Br)n21.
What is the InChIKey of 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is BXINQGDTPFEKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c9-6-4-10-7-3-1-2-5(8(12)13)11(6)7/h4-5H,1-3H2,(H,12,13).
What are the key properties of 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 245.08 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 83693098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).