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

C11H14N2 — CID 167632779

IUPAC4-tert-butyl-2H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1nccc2c1=CCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10/h4-5,7H,6H2,1-3H3
InChIKeySZOMQBSMFKPZPW-UHFFFAOYSA-N
MW174.25 g/mol
LogP0.79
Rot. Bonds

About 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine

4-tert-butyl-2H-pyrrolo[3,2-c]pyridine (PubChem CID 167632779) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-tert-butyl-2H-pyrrolo[3,2-c]pyridine
PubChem CID167632779
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-tert-butyl-2H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1nccc2c1=CCN=2
InChIInChI=1S/C11H14N2/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10/h4-5,7H,6H2,1-3H3
InChIKeySZOMQBSMFKPZPW-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

4-tert-butyl-5-ethenyl-2H-pyrrole
CID 58263748
2,5-ditert-butyl-3aH-pyrrolo[3,2-b]pyridine
CID 59591438
6-(2,2-dimethylpropyl)-7-methyl-4H-azepine
CID 67560950
6-Tert-butyl-5-propan-2-ylpyrrolo[3,2-b]pyrrole
CID 90310331
5-tert-butyl-3aH-pyrrolo[3,2-b]pyridine
CID 134271414
(Z)-4-tert-butyl-N-ethenyl-2,2-dimethylhex-4-en-3-imine
CID 146577215
7,7-Dimethyl-5,6-dihydroindole
CID 150535267
7,7-Dimethylindole
CID 153976413
5-tert-butyl-2H-pyrrolo[3,2-b]pyridine
CID 161132818
2-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole
CID 162279365
5-tert-butyl-N-ethenyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 167041115
4-tert-butyl-4H-cyclopenta[b]pyridine
CID 172544545

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine (CID 167632779) is 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine is CC(C)(C)c1nccc2c1=CCN=2.
What is the InChIKey of 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
The InChIKey is SZOMQBSMFKPZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-11(2,3)10-8-4-6-12-9(8)5-7-13-10/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine?
4-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 4-tert-butyl-2H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 167632779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).