1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine

C12H13BrClN3 — CID 117254778

IUPAC1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cccn2c(CC3CCNC3)nc(Br)c12
InChIInChI=1S/C12H13BrClN3/c13-12-11-9(14)2-1-5-17(11)10(16-12)6-8-3-4-15-7-8/h1-2,5,8,15H,3-4,6-7H2
InChIKeyBJMCDODDOJJIRO-UHFFFAOYSA-N
MW314.61 g/mol
LogP2.90
Rot. Bonds2

About 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine

1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine (PubChem CID 117254778) has the molecular formula C12H13BrClN3 and a molecular weight of 314.61 g/mol. Its IUPAC name is 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
PubChem CID117254778
Molecular FormulaC12H13BrClN3
Molecular Weight314.61 g/mol
Exact Mass313.00
IUPAC Name1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
SMILESClc1cccn2c(CC3CCNC3)nc(Br)c12
InChIInChI=1S/C12H13BrClN3/c13-12-11-9(14)2-1-5-17(11)10(16-12)6-8-3-4-15-7-8/h1-2,5,8,15H,3-4,6-7H2
InChIKeyBJMCDODDOJJIRO-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84744304
1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
1-bromo-8-chloro-3-(pyrrolidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254720
methyl 8-amino-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117254781
8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 115053231
1-chloro-6-methyl-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253632
1-bromo-5-methoxy-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117253004
9-chloro-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054752
1,8-dichloro-3-(piperidin-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117254735
8-amino-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117254798
3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147434
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630

Frequently Asked Questions

What is the IUPAC name of 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine (CID 117254778) is 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine is Clc1cccn2c(CC3CCNC3)nc(Br)c12.
What is the InChIKey of 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
The InChIKey is BJMCDODDOJJIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3/c13-12-11-9(14)2-1-5-17(11)10(16-12)6-8-3-4-15-7-8/h1-2,5,8,15H,3-4,6-7H2.
What are the key properties of 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine?
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine has a molecular weight of 314.61 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117254778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).