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

C11H14ClN3 — CID 45265991

IUPAC2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
SMILESCl.c1cnc2[nH]c(C3CCNC3)cc2c1
InChIInChI=1S/C11H13N3.ClH/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
InChIKeyQQYBNTAMLYAHOJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.06
Rot. Bonds1

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

2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride (PubChem CID 45265991) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
PubChem CID45265991
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
SMILESCl.c1cnc2[nH]c(C3CCNC3)cc2c1
InChIInChI=1S/C11H13N3.ClH/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
InChIKeyQQYBNTAMLYAHOJ-UHFFFAOYSA-N
XLogP2.06
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride (CID 45265991) is 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride is Cl.c1cnc2[nH]c(C3CCNC3)cc2c1.
What is the InChIKey of 2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride?
The InChIKey is QQYBNTAMLYAHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.ClH/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;hydrochloride?
2-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine;hydrochloride has a molecular weight of 223.71 g/mol, XLogP of 2.06, 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;hydrochloride is sourced from PubChem (CID 45265991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).