7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol

C8H12BrN3O — CID 83900048

IUPAC7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol
SMILESNCC1(O)CCn2cnc(Br)c2C1
InChIInChI=1S/C8H12BrN3O/c9-7-6-3-8(13,4-10)1-2-12(6)5-11-7/h5,13H,1-4,10H2
InChIKeyCVQOVPXQFUJHJY-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.28
Rot. Bonds1

About 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol

7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol (PubChem CID 83900048) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol.

Molecular Properties

Compound Name7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol
PubChem CID83900048
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol
SMILESNCC1(O)CCn2cnc(Br)c2C1
InChIInChI=1S/C8H12BrN3O/c9-7-6-3-8(13,4-10)1-2-12(6)5-11-7/h5,13H,1-4,10H2
InChIKeyCVQOVPXQFUJHJY-UHFFFAOYSA-N
XLogP0.28
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol?
The IUPAC name of 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol (CID 83900048) is 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol.
What is the SMILES notation for 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol?
The canonical SMILES for 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol is NCC1(O)CCn2cnc(Br)c2C1.
What is the InChIKey of 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol?
The InChIKey is CVQOVPXQFUJHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c9-7-6-3-8(13,4-10)1-2-12(6)5-11-7/h5,13H,1-4,10H2.
What are the key properties of 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol?
7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol has a molecular weight of 246.11 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-1-bromo-6,8-dihydro-5H-imidazo[1,5-a]pyridin-7-ol is sourced from PubChem (CID 83900048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).