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

C10H13ClN2 — CID 118489348

IUPAC6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=CC(Cl)=CC2N1
InChIInChI=1S/C10H13ClN2/c1-6(2)8-4-9-10(13-8)3-7(11)5-12-9/h3-6,9-10,13H,1-2H3
InChIKeyRMCKUESDDCGJFI-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.07
Rot. Bonds1

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

6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118489348) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118489348
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=CC(Cl)=CC2N1
InChIInChI=1S/C10H13ClN2/c1-6(2)8-4-9-10(13-8)3-7(11)5-12-9/h3-6,9-10,13H,1-2H3
InChIKeyRMCKUESDDCGJFI-UHFFFAOYSA-N
XLogP2.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118489348) is 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC(C)C1=CC2N=CC(Cl)=CC2N1.
What is the InChIKey of 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RMCKUESDDCGJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-6(2)8-4-9-10(13-8)3-7(11)5-12-9/h3-6,9-10,13H,1-2H3.
What are the key properties of 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 196.68 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118489348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).