2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine

C13H16BrN3 — CID 117223883

IUPAC2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESBrc1cc2cccnc2n1CC1CCCNC1
InChIInChI=1S/C13H16BrN3/c14-12-7-11-4-2-6-16-13(11)17(12)9-10-3-1-5-15-8-10/h2,4,6-7,10,15H,1,3,5,8-9H2
InChIKeyUGDCXSJMNJXTEJ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.80
Rot. Bonds2

About 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine

2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 117223883) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID117223883
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESBrc1cc2cccnc2n1CC1CCCNC1
InChIInChI=1S/C13H16BrN3/c14-12-7-11-4-2-6-16-13(11)17(12)9-10-3-1-5-15-8-10/h2,4,6-7,10,15H,1,3,5,8-9H2
InChIKeyUGDCXSJMNJXTEJ-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(pyrrolidin-3-ylmethyl)pyrrolo[2,3-b]pyridine
CID 117223880
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
7-(piperidin-3-ylmethyl)quinoline
CID 84791058
1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
CID 68897805
1-[(2-fluorophenyl)methyl]-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
CID 110234760
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
3-chloro-2-[1-(piperidin-3-ylmethyl)piperidin-4-yl]pyridine;hydrochloride
CID 120849162
6-bromo-2-methyl-1-[[(3R)-piperidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 178046830
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine (CID 117223883) is 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine is Brc1cc2cccnc2n1CC1CCCNC1.
What is the InChIKey of 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is UGDCXSJMNJXTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c14-12-7-11-4-2-6-16-13(11)17(12)9-10-3-1-5-15-8-10/h2,4,6-7,10,15H,1,3,5,8-9H2.
What are the key properties of 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine?
2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 294.20 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(piperidin-3-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 117223883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).