2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide

C11H14BrN3 — CID 45263879

IUPAC2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide
SMILESBr.c1cnc2[nH]c(C3CCNC3)cc2c1
InChIInChI=1S/C11H13N3.BrH/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1;/h1-2,4,6,9,12H,3,5,7H2,(H,13,14);1H
InChIKeyHCADCMCSEMCZLM-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.22
Rot. Bonds1

About 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide

2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide (PubChem CID 45263879) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide
PubChem CID45263879
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide
SMILESBr.c1cnc2[nH]c(C3CCNC3)cc2c1
InChIInChI=1S/C11H13N3.BrH/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1;/h1-2,4,6,9,12H,3,5,7H2,(H,13,14);1H
InChIKeyHCADCMCSEMCZLM-UHFFFAOYSA-N
XLogP2.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ruxolitinib
CID 25126798
1H-Pyrrolo(2,3-b)pyridine
CID 9222
PP121
CID 24905142
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
4-(1H-indol-3-yl)pyrimidin-2-amine
CID 400433
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Rolodine
CID 5359646
Deuruxolitinib
CID 72704611
FR-79620
CID 10421577
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
3-Imidazol-1-ylmethyl-1H-indole
CID 792486

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide?
The IUPAC name of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide (CID 45263879) is 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide.
What is the SMILES notation for 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide?
The canonical SMILES for 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide is Br.c1cnc2[nH]c(C3CCNC3)cc2c1.
What is the InChIKey of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide?
The InChIKey is HCADCMCSEMCZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.BrH/c1-2-8-6-10(9-3-5-12-7-9)14-11(8)13-4-1;/h1-2,4,6,9,12H,3,5,7H2,(H,13,14);1H.
What are the key properties of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide?
2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide has a molecular weight of 268.16 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrobromide is sourced from PubChem (CID 45263879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).