7-tert-butyl-2H-pyrrolo[3,2-c]pyridine

C11H14N2 — CID 158512304

IUPAC7-tert-butyl-2H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1cncc2c1=NCC=2
InChIInChI=1S/C11H14N2/c1-11(2,3)9-7-12-6-8-4-5-13-10(8)9/h4,6-7H,5H2,1-3H3
InChIKeyVBMGSYJUCXYSFL-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.79
Rot. Bonds

About 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine

7-tert-butyl-2H-pyrrolo[3,2-c]pyridine (PubChem CID 158512304) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name7-tert-butyl-2H-pyrrolo[3,2-c]pyridine
PubChem CID158512304
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7-tert-butyl-2H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1cncc2c1=NCC=2
InChIInChI=1S/C11H14N2/c1-11(2,3)9-7-12-6-8-4-5-13-10(8)9/h4,6-7H,5H2,1-3H3
InChIKeyVBMGSYJUCXYSFL-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

7,7-Dimethyl-2,6-dihydrocyclopenta[d]pyrimidine
CID 22156189
3,3-Dimethyl-4,5-dihydroindole
CID 123231392
7-tert-butyl-2H-indole
CID 157108111
4-tert-butyl-2H-pyrrolo[2,3-c]pyridine
CID 157549121
7-tert-butyl-2H-pyrrolo[2,3-c]pyridine
CID 157549123
6-tert-butyl-2H-pyrrolo[3,2-b]pyridine
CID 158512301
7-tert-butyl-2H-pyrrolo[3,2-b]pyridine
CID 158512302
3-tert-butyl-2-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 167604945
4-tert-butyl-2H-pyrrolo[3,2-c]pyridine
CID 167632779

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine (CID 158512304) is 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine is CC(C)(C)c1cncc2c1=NCC=2.
What is the InChIKey of 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is VBMGSYJUCXYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)9-7-12-6-8-4-5-13-10(8)9/h4,6-7H,5H2,1-3H3.
What are the key properties of 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
7-tert-butyl-2H-pyrrolo[3,2-c]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 7-tert-butyl-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 158512304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).