2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine

C11H16N2 — CID 68928158

IUPAC2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine
SMILESCC1N=C2C(=CC=CN2C)C1(C)C
InChIInChI=1S/C11H16N2/c1-8-11(2,3)9-6-5-7-13(4)10(9)12-8/h5-8H,1-4H3
InChIKeyACQNSISHYXFOLC-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.20
Rot. Bonds

About 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine

2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine (PubChem CID 68928158) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine
PubChem CID68928158
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine
SMILESCC1N=C2C(=CC=CN2C)C1(C)C
InChIInChI=1S/C11H16N2/c1-8-11(2,3)9-6-5-7-13(4)10(9)12-8/h5-8H,1-4H3
InChIKeyACQNSISHYXFOLC-UHFFFAOYSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine (CID 68928158) is 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine is CC1N=C2C(=CC=CN2C)C1(C)C.
What is the InChIKey of 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is ACQNSISHYXFOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-11(2,3)9-6-5-7-13(4)10(9)12-8/h5-8H,1-4H3.
What are the key properties of 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine?
2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,7-tetramethyl-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68928158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).