1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine

C10H11BrClN3 — CID 117254878

IUPAC1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
SMILESCNC(C)c1nc(Cl)c2c(Br)cccn12
InChIInChI=1S/C10H11BrClN3/c1-6(13-2)10-14-9(12)8-7(11)4-3-5-15(8)10/h3-6,13H,1-2H3
InChIKeyCRYACDJXJDZKDQ-UHFFFAOYSA-N
MW288.58 g/mol
LogP3.03
Rot. Bonds2

About 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine

1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine (PubChem CID 117254878) has the molecular formula C10H11BrClN3 and a molecular weight of 288.58 g/mol. Its IUPAC name is 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
PubChem CID117254878
Molecular FormulaC10H11BrClN3
Molecular Weight288.58 g/mol
Exact Mass286.98
IUPAC Name1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
SMILESCNC(C)c1nc(Cl)c2c(Br)cccn12
InChIInChI=1S/C10H11BrClN3/c1-6(13-2)10-14-9(12)8-7(11)4-3-5-15(8)10/h3-6,13H,1-2H3
InChIKeyCRYACDJXJDZKDQ-UHFFFAOYSA-N
XLogP3.03
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
The IUPAC name of 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine (CID 117254878) is 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine is CNC(C)c1nc(Cl)c2c(Br)cccn12.
What is the InChIKey of 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
The InChIKey is CRYACDJXJDZKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClN3/c1-6(13-2)10-14-9(12)8-7(11)4-3-5-15(8)10/h3-6,13H,1-2H3.
What are the key properties of 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine?
1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine has a molecular weight of 288.58 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine is sourced from PubChem (CID 117254878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).