6-tert-butyl-2H-pyrrolo[3,2-b]pyridine

C11H14N2 — CID 158512301

IUPAC6-tert-butyl-2H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cnc2c(c1)=NCC=2
InChIInChI=1S/C11H14N2/c1-11(2,3)8-6-10-9(13-7-8)4-5-12-10/h4,6-7H,5H2,1-3H3
InChIKeyVEYKHJUNRWWHDL-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.79
Rot. Bonds

About 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine

6-tert-butyl-2H-pyrrolo[3,2-b]pyridine (PubChem CID 158512301) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2H-pyrrolo[3,2-b]pyridine
PubChem CID158512301
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name6-tert-butyl-2H-pyrrolo[3,2-b]pyridine
SMILESCC(C)(C)c1cnc2c(c1)=NCC=2
InChIInChI=1S/C11H14N2/c1-11(2,3)8-6-10-9(13-7-8)4-5-12-10/h4,6-7H,5H2,1-3H3
InChIKeyVEYKHJUNRWWHDL-UHFFFAOYSA-N
XLogP0.79
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-7aH-pyrrolo[3,2-b]pyridine
CID 59457874
4,4-Dimethylindole
CID 152462815
6-tert-butyl-3aH-pyrazolo[4,3-c]pyridine
CID 153505976
5-tert-butyl-2H-pyrrolo[3,2-b]pyridine
CID 161132818
6-propan-2-yl-3aH-pyrrolo[3,2-b]pyridine
CID 177129078
(2E)-N,5-dimethyl-2-propylidenepyridin-3-imine;ethane
CID 177982200
ethane;(2E)-N-ethyl-2-ethylidene-5-methylpyridin-3-imine
CID 177983365
5-tert-butyl-2H-pyrrolo[2,3-c]pyridine
CID 157549122
3-tert-butyl-6H-cyclopenta[b]pyridine
CID 157837743
7-tert-butyl-2H-pyrrolo[3,2-b]pyridine
CID 158512302
7-tert-butyl-2H-pyrrolo[3,2-c]pyridine
CID 158512304
6-tert-butyl-2H-pyrrolo[3,2-c]pyridine
CID 158512306

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine (CID 158512301) is 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine is CC(C)(C)c1cnc2c(c1)=NCC=2.
What is the InChIKey of 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is VEYKHJUNRWWHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)8-6-10-9(13-7-8)4-5-12-10/h4,6-7H,5H2,1-3H3.
What are the key properties of 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine?
6-tert-butyl-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 174.25 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 158512301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).