3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C8H9ClN2 — CID 171654967

IUPAC3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CC2C(Cl)=CNC2N=C1
InChIInChI=1S/C8H9ClN2/c1-5-2-6-7(9)4-11-8(6)10-3-5/h2-4,6,8,11H,1H3
InChIKeyCJMRYNNRZKMXBE-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.64
Rot. Bonds

About 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 171654967) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID171654967
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CC2C(Cl)=CNC2N=C1
InChIInChI=1S/C8H9ClN2/c1-5-2-6-7(9)4-11-8(6)10-3-5/h2-4,6,8,11H,1H3
InChIKeyCJMRYNNRZKMXBE-UHFFFAOYSA-N
XLogP1.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-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 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 171654967) is 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC1=CC2C(Cl)=CNC2N=C1.
What is the InChIKey of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CJMRYNNRZKMXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c1-5-2-6-7(9)4-11-8(6)10-3-5/h2-4,6,8,11H,1H3.
What are the key properties of 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 168.63 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 171654967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).