2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

C9H12N2 — CID 58047118

IUPAC2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc2c(n1)NC(C)C2
InChIInChI=1S/C9H12N2/c1-6-3-4-8-5-7(2)11-9(8)10-6/h3-4,7H,5H2,1-2H3,(H,10,11)
InChIKeyVMXLBENROCBYAV-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.75
Rot. Bonds

About 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine

2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58047118) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID58047118
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccc2c(n1)NC(C)C2
InChIInChI=1S/C9H12N2/c1-6-3-4-8-5-7(2)11-9(8)10-6/h3-4,7H,5H2,1-2H3,(H,10,11)
InChIKeyVMXLBENROCBYAV-UHFFFAOYSA-N
XLogP1.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 58047118) is 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is Cc1ccc2c(n1)NC(C)C2.
What is the InChIKey of 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VMXLBENROCBYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6-3-4-8-5-7(2)11-9(8)10-6/h3-4,7H,5H2,1-2H3,(H,10,11).
What are the key properties of 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine?
2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 148.21 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58047118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).