5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C11H15ClN2 — CID 171758127

IUPAC5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)C1=CC2C(Cl)=CNC2N=C1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7/h4-6,8,10,14H,1-3H3
InChIKeyVAEKYPMAADJZIK-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.67
Rot. Bonds

About 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 171758127) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID171758127
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)C1=CC2C(Cl)=CNC2N=C1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7/h4-6,8,10,14H,1-3H3
InChIKeyVAEKYPMAADJZIK-UHFFFAOYSA-N
XLogP2.67
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 171758127) is 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)C1=CC2C(Cl)=CNC2N=C1.
What is the InChIKey of 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VAEKYPMAADJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-11(2,3)7-4-8-9(12)6-14-10(8)13-5-7/h4-6,8,10,14H,1-3H3.
What are the key properties of 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 210.71 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-chloro-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 171758127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).