3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol

C13H14BrN3O — CID 117249982

IUPAC3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
SMILESNC1CCCn2c(-c3cccc(O)c3)nc(Br)c21
InChIInChI=1S/C13H14BrN3O/c14-12-11-10(15)5-2-6-17(11)13(16-12)8-3-1-4-9(18)7-8/h1,3-4,7,10,18H,2,5-6,15H2
InChIKeyDOHKOQBRENNMRP-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.81
Rot. Bonds1

About 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol

3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol (PubChem CID 117249982) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol.

Molecular Properties

Compound Name3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
PubChem CID117249982
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol
SMILESNC1CCCn2c(-c3cccc(O)c3)nc(Br)c21
InChIInChI=1S/C13H14BrN3O/c14-12-11-10(15)5-2-6-17(11)13(16-12)8-3-1-4-9(18)7-8/h1,3-4,7,10,18H,2,5-6,15H2
InChIKeyDOHKOQBRENNMRP-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
The IUPAC name of 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol (CID 117249982) is 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol.
What is the SMILES notation for 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
The canonical SMILES for 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol is NC1CCCn2c(-c3cccc(O)c3)nc(Br)c21.
What is the InChIKey of 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
The InChIKey is DOHKOQBRENNMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-12-11-10(15)5-2-6-17(11)13(16-12)8-3-1-4-9(18)7-8/h1,3-4,7,10,18H,2,5-6,15H2.
What are the key properties of 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol?
3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol has a molecular weight of 308.18 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-amino-1-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenol is sourced from PubChem (CID 117249982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).