8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine

C13H16BrN3 — CID 115053231

IUPAC8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1c(CC2CCNC2)nc2c(Br)cccn12
InChIInChI=1S/C13H16BrN3/c1-9-12(7-10-4-5-15-8-10)16-13-11(14)3-2-6-17(9)13/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyBYYVNJJJGKJMNI-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.56
Rot. Bonds2

About 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine

8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 115053231) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID115053231
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
SMILESCc1c(CC2CCNC2)nc2c(Br)cccn12
InChIInChI=1S/C13H16BrN3/c1-9-12(7-10-4-5-15-8-10)16-13-11(14)3-2-6-17(9)13/h2-3,6,10,15H,4-5,7-8H2,1H3
InChIKeyBYYVNJJJGKJMNI-UHFFFAOYSA-N
XLogP2.56
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 115053246
8-bromo-2-ethyl-3-methylimidazo[1,2-a]pyridine
CID 83692970
1-bromo-8-methyl-3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254803
1-bromo-8-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine
CID 117254778
9-methyl-2-(2-pyrrolidin-3-ylethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054776
8-bromo-3-methyl-2-pyrrolidin-2-ylimidazo[1,2-a]pyridine
CID 115051574
1-bromo-8-methyl-3-(piperidin-4-ylmethyl)imidazo[1,5-a]pyridine
CID 84744304
8-fluoro-3-methyl-2-(pyrrolidin-2-ylmethyl)imidazo[1,2-a]pyridine
CID 115039507
8-bromo-2,3-dimethylimidazo[1,2-a]pyridine
CID 70473254
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
3,8-dimethyl-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 115029259
8-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054694

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine (CID 115053231) is 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine is Cc1c(CC2CCNC2)nc2c(Br)cccn12.
What is the InChIKey of 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is BYYVNJJJGKJMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-9-12(7-10-4-5-15-8-10)16-13-11(14)3-2-6-17(9)13/h2-3,6,10,15H,4-5,7-8H2,1H3.
What are the key properties of 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine?
8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 294.20 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 115053231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).