6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

C12H15Cl2N3 — CID 22646910

IUPAC6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESClc1cc(N2CCC3CCNC3C2)cnc1Cl
InChIInChI=1S/C12H15Cl2N3/c13-10-5-9(6-16-12(10)14)17-4-2-8-1-3-15-11(8)7-17/h5-6,8,11,15H,1-4,7H2
InChIKeyMAHWNRWRZPGLNW-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.58
Rot. Bonds1

About 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine

6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (PubChem CID 22646910) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
PubChem CID22646910
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
SMILESClc1cc(N2CCC3CCNC3C2)cnc1Cl
InChIInChI=1S/C12H15Cl2N3/c13-10-5-9(6-16-12(10)14)17-4-2-8-1-3-15-11(8)7-17/h5-6,8,11,15H,1-4,7H2
InChIKeyMAHWNRWRZPGLNW-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The IUPAC name of 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine (CID 22646910) is 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine.
What is the SMILES notation for 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The canonical SMILES for 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is Clc1cc(N2CCC3CCNC3C2)cnc1Cl.
What is the InChIKey of 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
The InChIKey is MAHWNRWRZPGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3/c13-10-5-9(6-16-12(10)14)17-4-2-8-1-3-15-11(8)7-17/h5-6,8,11,15H,1-4,7H2.
What are the key properties of 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine?
6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine has a molecular weight of 272.18 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-3-pyridinyl)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine is sourced from PubChem (CID 22646910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).