1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine

C12H13BrClN3 — CID 84744462

IUPAC1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1ccc2c(Br)nc(CC3CCCN3)n2c1
InChIInChI=1S/C12H13BrClN3/c13-12-10-4-3-8(14)7-17(10)11(16-12)6-9-2-1-5-15-9/h3-4,7,9,15H,1-2,5-6H2
InChIKeyIPEHFGMQOGGEQS-UHFFFAOYSA-N
MW314.61 g/mol
LogP3.04
Rot. Bonds2

About 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine

1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 84744462) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID84744462
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1ccc2c(Br)nc(CC3CCCN3)n2c1
InChIInChI=1S/C12H13BrClN3/c13-12-10-4-3-8(14)7-17(10)11(16-12)6-9-2-1-5-15-9/h3-4,7,9,15H,1-2,5-6H2
InChIKeyIPEHFGMQOGGEQS-UHFFFAOYSA-N
XLogP3.04
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84742756
6-chloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253586
1-bromo-6-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
CID 84744073
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
1-bromo-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridin-8-ol
CID 117254727
5-chloro-1-propyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 61372509
6-amino-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253584
4-chloro-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84633647
5-chloro-2-(pyrrolidin-2-ylmethyl)pyridine
CID 82657762
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
8-bromo-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84744210
1-bromo-6-chloro-3-[2-(furan-2-yl)ethyl]imidazo[1,5-a]pyridine
CID 84744807

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine (CID 84744462) is 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine is Clc1ccc2c(Br)nc(CC3CCCN3)n2c1.
What is the InChIKey of 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is IPEHFGMQOGGEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c13-12-10-4-3-8(14)7-17(10)11(16-12)6-9-2-1-5-15-9/h3-4,7,9,15H,1-2,5-6H2.
What are the key properties of 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine?
1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 314.61 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 84744462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).