6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine

C13H17FN2 — CID 176615955

IUPAC6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine
SMILESCCn1cc(F)c2ccc(C(C)(C)C)nc21
InChIInChI=1S/C13H17FN2/c1-5-16-8-10(14)9-6-7-11(13(2,3)4)15-12(9)16/h6-8H,5H2,1-4H3
InChIKeyOMGKJWRXDRTHCW-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.49
Rot. Bonds1

About 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine

6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine (PubChem CID 176615955) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine
PubChem CID176615955
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine
SMILESCCn1cc(F)c2ccc(C(C)(C)C)nc21
InChIInChI=1S/C13H17FN2/c1-5-16-8-10(14)9-6-7-11(13(2,3)4)15-12(9)16/h6-8H,5H2,1-4H3
InChIKeyOMGKJWRXDRTHCW-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine?
The IUPAC name of 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine (CID 176615955) is 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine is CCn1cc(F)c2ccc(C(C)(C)C)nc21.
What is the InChIKey of 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine?
The InChIKey is OMGKJWRXDRTHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-5-16-8-10(14)9-6-7-11(13(2,3)4)15-12(9)16/h6-8H,5H2,1-4H3.
What are the key properties of 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine?
6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine has a molecular weight of 220.29 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethyl-3-fluoropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 176615955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).