3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine

C11H13BrClN3 — CID 117253851

IUPAC3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc(Br)c2ccc(Cl)cn12
InChIInChI=1S/C11H13BrClN3/c1-14-6-2-3-10-15-11(12)9-5-4-8(13)7-16(9)10/h4-5,7,14H,2-3,6H2,1H3
InChIKeyUBTACJIVRVIKTO-UHFFFAOYSA-N
MW302.60 g/mol
LogP2.90
Rot. Bonds4

About 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine

3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine (PubChem CID 117253851) has the molecular formula C11H13BrClN3 and a molecular weight of 302.60 g/mol. Its IUPAC name is 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
PubChem CID117253851
Molecular FormulaC11H13BrClN3
Molecular Weight302.60 g/mol
Exact Mass301.00
IUPAC Name3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
SMILESCNCCCc1nc(Br)c2ccc(Cl)cn12
InChIInChI=1S/C11H13BrClN3/c1-14-6-2-3-10-15-11(12)9-5-4-8(13)7-16(9)10/h4-5,7,14H,2-3,6H2,1H3
InChIKeyUBTACJIVRVIKTO-UHFFFAOYSA-N
XLogP2.90
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-bromo-6-chloro-3-[2-(furan-2-yl)ethyl]imidazo[1,5-a]pyridine
CID 84744807
3-(1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine
CID 117253307
1-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 83867541
1-(1-bromo-6-methoxyimidazo[1,5-a]pyridin-3-yl)-N-methylmethanamine
CID 84743105
2-(1,6-dibromoimidazo[1,5-a]pyridin-3-yl)ethanamine
CID 84744625
2-(1-bromo-3-ethylimidazo[1,5-a]pyridin-6-yl)ethanamine
CID 83867344
methyl 6-hydroxy-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253837
methyl 6-methyl-3-[3-(methylamino)propyl]imidazo[1,5-a]pyridine-1-carboxylate
CID 117253873
1-bromo-3-[2-(2-fluorophenyl)ethyl]-6-methylimidazo[1,5-a]pyridine
CID 84745023
1-chloro-3-[2-(methylamino)ethyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84742150
2-[4-bromo-5-(4-chlorophenyl)-1-methylimidazol-2-yl]-N-methylethanamine
CID 84608558
2-(7-bromo-1-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylethanamine
CID 84743721

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine (CID 117253851) is 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine is CNCCCc1nc(Br)c2ccc(Cl)cn12.
What is the InChIKey of 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
The InChIKey is UBTACJIVRVIKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3/c1-14-6-2-3-10-15-11(12)9-5-4-8(13)7-16(9)10/h4-5,7,14H,2-3,6H2,1H3.
What are the key properties of 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine?
3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine has a molecular weight of 302.60 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromo-6-chloroimidazo[1,5-a]pyridin-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 117253851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).