[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol

C12H13BrN2O2 — CID 117148111

IUPAC[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
SMILESOCC1CCc2cnc(-c3ccc(Br)o3)n2C1
InChIInChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)12-14-5-9-2-1-8(7-16)6-15(9)12/h3-5,8,16H,1-2,6-7H2
InChIKeyCBZAXNDUVAYNEM-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.46
Rot. Bonds2

About [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol

[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol (PubChem CID 117148111) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol.

Molecular Properties

Compound Name[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
PubChem CID117148111
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol
SMILESOCC1CCc2cnc(-c3ccc(Br)o3)n2C1
InChIInChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)12-14-5-9-2-1-8(7-16)6-15(9)12/h3-5,8,16H,1-2,6-7H2
InChIKeyCBZAXNDUVAYNEM-UHFFFAOYSA-N
XLogP2.46
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol?
The IUPAC name of [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol (CID 117148111) is [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol.
What is the SMILES notation for [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol?
The canonical SMILES for [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol is OCC1CCc2cnc(-c3ccc(Br)o3)n2C1.
What is the InChIKey of [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol?
The InChIKey is CBZAXNDUVAYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)12-14-5-9-2-1-8(7-16)6-15(9)12/h3-5,8,16H,1-2,6-7H2.
What are the key properties of [3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol?
[3-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]methanol has a molecular weight of 297.15 g/mol, XLogP of 2.46, 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]pyridin-6-yl]methanol is sourced from PubChem (CID 117148111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).