6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C9H11ClN2 — CID 118493383

IUPAC6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=CC(Cl)=CC2N1
InChIInChI=1S/C9H11ClN2/c1-2-7-4-8-9(12-7)3-6(10)5-11-8/h3-5,8-9,12H,2H2,1H3
InChIKeyJLBXCLVHIJCJQZ-UHFFFAOYSA-N
MW182.65 g/mol
LogP1.83
Rot. Bonds1

About 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118493383) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118493383
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Name6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCCC1=CC2N=CC(Cl)=CC2N1
InChIInChI=1S/C9H11ClN2/c1-2-7-4-8-9(12-7)3-6(10)5-11-8/h3-5,8-9,12H,2H2,1H3
InChIKeyJLBXCLVHIJCJQZ-UHFFFAOYSA-N
XLogP1.83
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118493383) is 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CCC1=CC2N=CC(Cl)=CC2N1.
What is the InChIKey of 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is JLBXCLVHIJCJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2/c1-2-7-4-8-9(12-7)3-6(10)5-11-8/h3-5,8-9,12H,2H2,1H3.
What are the key properties of 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 182.65 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118493383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).