3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol

C14H11BrN2O — CID 117147027

IUPAC3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol
SMILESOc1cccn2c(Cc3ccc(Br)cc3)ncc12
InChIInChI=1S/C14H11BrN2O/c15-11-5-3-10(4-6-11)8-14-16-9-12-13(18)2-1-7-17(12)14/h1-7,9,18H,8H2
InChIKeyQFFROTUBXSLKRL-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.39
Rot. Bonds2

About 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol

3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol (PubChem CID 117147027) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol
PubChem CID117147027
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol
SMILESOc1cccn2c(Cc3ccc(Br)cc3)ncc12
InChIInChI=1S/C14H11BrN2O/c15-11-5-3-10(4-6-11)8-14-16-9-12-13(18)2-1-7-17(12)14/h1-7,9,18H,8H2
InChIKeyQFFROTUBXSLKRL-UHFFFAOYSA-N
XLogP3.39
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol?
The IUPAC name of 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol (CID 117147027) is 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol?
The canonical SMILES for 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol is Oc1cccn2c(Cc3ccc(Br)cc3)ncc12.
What is the InChIKey of 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol?
The InChIKey is QFFROTUBXSLKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-11-5-3-10(4-6-11)8-14-16-9-12-13(18)2-1-7-17(12)14/h1-7,9,18H,8H2.
What are the key properties of 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol?
3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol has a molecular weight of 303.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]imidazo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 117147027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).