3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine

C12H15FN2 — CID 139383710

IUPAC3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCCc1cn(C(C)C)c2ncc(F)cc12
InChIInChI=1S/C12H15FN2/c1-4-9-7-15(8(2)3)12-11(9)5-10(13)6-14-12/h5-8H,4H2,1-3H3
InChIKeyFHSAABKYAPECLM-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.32
Rot. Bonds2

About 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine

3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 139383710) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID139383710
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCCc1cn(C(C)C)c2ncc(F)cc12
InChIInChI=1S/C12H15FN2/c1-4-9-7-15(8(2)3)12-11(9)5-10(13)6-14-12/h5-8H,4H2,1-3H3
InChIKeyFHSAABKYAPECLM-UHFFFAOYSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 139383710) is 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine is CCc1cn(C(C)C)c2ncc(F)cc12.
What is the InChIKey of 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is FHSAABKYAPECLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-4-9-7-15(8(2)3)12-11(9)5-10(13)6-14-12/h5-8H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine?
3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 206.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 139383710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).