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

C12H14BrN3 — CID 146596485

IUPAC3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cnc2c(CN3CCCC3)cccn12
InChIInChI=1S/C12H14BrN3/c13-11-8-14-12-10(4-3-7-16(11)12)9-15-5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2
InChIKeyTUSJYEUNRMXDHI-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.69
Rot. Bonds2

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

3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 146596485) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID146596485
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESBrc1cnc2c(CN3CCCC3)cccn12
InChIInChI=1S/C12H14BrN3/c13-11-8-14-12-10(4-3-7-16(11)12)9-15-5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2
InChIKeyTUSJYEUNRMXDHI-UHFFFAOYSA-N
XLogP2.69
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromoimidazo[1,2-a]pyridin-8-yl)methanamine
CID 82618151
4-chloro-2-[4-[8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]phenoxy]benzaldehyde
CID 167414721
4-fluoro-1-[(3-iodoimidazo[1,2-a]pyridin-8-yl)methyl]piperidine-4-carbonitrile
CID 167881010
3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256876
8-bromo-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 117256804
4-[(8-chloroimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 117256800
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
2-bromo-6-(pyrrolidin-1-ylmethyl)phenol
CID 78916446
2-(azepan-1-ylmethyl)-3-bromoimidazo[1,2-a]pyrimidine
CID 23965064
methyl 3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256875
N-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetamide
CID 46838754

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine (CID 146596485) is 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine is Brc1cnc2c(CN3CCCC3)cccn12.
What is the InChIKey of 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is TUSJYEUNRMXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c13-11-8-14-12-10(4-3-7-16(11)12)9-15-5-1-2-6-15/h3-4,7-8H,1-2,5-6,9H2.
What are the key properties of 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine?
3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 280.17 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 146596485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).