6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

C12H14ClN3 — CID 24758034

IUPAC6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc2c(C3CCCNC3)c[nH]c2n1
InChIInChI=1S/C12H14ClN3/c13-11-4-3-9-10(7-15-12(9)16-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2,(H,15,16)
InChIKeyHZOQVOGSPNJBDJ-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.68
Rot. Bonds1

About 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine

6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24758034) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID24758034
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1ccc2c(C3CCCNC3)c[nH]c2n1
InChIInChI=1S/C12H14ClN3/c13-11-4-3-9-10(7-15-12(9)16-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2,(H,15,16)
InChIKeyHZOQVOGSPNJBDJ-UHFFFAOYSA-N
XLogP2.68
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine (CID 24758034) is 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is Clc1ccc2c(C3CCCNC3)c[nH]c2n1.
What is the InChIKey of 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HZOQVOGSPNJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c13-11-4-3-9-10(7-15-12(9)16-11)8-2-1-5-14-6-8/h3-4,7-8,14H,1-2,5-6H2,(H,15,16).
What are the key properties of 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine?
6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 235.72 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24758034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).