1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine

C13H18N2 — CID 129128725

IUPAC1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine
SMILESCCc1ccnc2c1ccn2C(C)(C)C
InChIInChI=1S/C13H18N2/c1-5-10-6-8-14-12-11(10)7-9-15(12)13(2,3)4/h6-9H,5H2,1-4H3
InChIKeyNWGPFBAAJQLATL-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.35
Rot. Bonds1

About 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine

1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine (PubChem CID 129128725) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine
PubChem CID129128725
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine
SMILESCCc1ccnc2c1ccn2C(C)(C)C
InChIInChI=1S/C13H18N2/c1-5-10-6-8-14-12-11(10)7-9-15(12)13(2,3)4/h6-9H,5H2,1-4H3
InChIKeyNWGPFBAAJQLATL-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine (CID 129128725) is 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine is CCc1ccnc2c1ccn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine?
The InChIKey is NWGPFBAAJQLATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-5-10-6-8-14-12-11(10)7-9-15(12)13(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine?
1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine has a molecular weight of 202.30 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-ethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 129128725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).