3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

C12H11BrN2O3 — CID 117149368

IUPAC3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2cnc(-c3ccc(Br)o3)n21
InChIInChI=1S/C12H11BrN2O3/c13-10-5-4-9(18-10)11-14-6-7-2-1-3-8(12(16)17)15(7)11/h4-6,8H,1-3H2,(H,16,17)
InChIKeyZWBDIGDRMUSVOI-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.87
Rot. Bonds2

About 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid

3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 117149368) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
PubChem CID117149368
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2cnc(-c3ccc(Br)o3)n21
InChIInChI=1S/C12H11BrN2O3/c13-10-5-4-9(18-10)11-14-6-7-2-1-3-8(12(16)17)15(7)11/h4-6,8H,1-3H2,(H,16,17)
InChIKeyZWBDIGDRMUSVOI-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 83837680
3-[(4-methylphenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149400
3-bromo-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 83693098
3-[(1,1-dioxothiolan-2-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117149326
3-(5-bromofuran-2-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 175591325
[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
CID 117148111
6-oxo-1,2,3,4-tetrahydroquinolizine-4-carboxylic acid
CID 115019326
1-(3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)ethanone
CID 83881997
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
1-[(5-bromofuran-2-yl)methyl]azepane-2-carboxylic acid
CID 64562185
2-(5-bromofuran-2-yl)-4-cyclopropyl-1,3-oxazole-5-carboxylic acid
CID 114374511
1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 43441609

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid (CID 117149368) is 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2cnc(-c3ccc(Br)o3)n21.
What is the InChIKey of 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is ZWBDIGDRMUSVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c13-10-5-4-9(18-10)11-14-6-7-2-1-3-8(12(16)17)15(7)11/h4-6,8H,1-3H2,(H,16,17).
What are the key properties of 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid?
3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid has a molecular weight of 311.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117149368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).