3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine

C8H9FN2 — CID 130220586

IUPAC3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine
SMILESCN1C=C(F)C2CC=CN=C21
InChIInChI=1S/C8H9FN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2,4-6H,3H2,1H3
InChIKeyUNPARWRULHIDRP-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.67
Rot. Bonds

About 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine

3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine (PubChem CID 130220586) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine
PubChem CID130220586
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine
SMILESCN1C=C(F)C2CC=CN=C21
InChIInChI=1S/C8H9FN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2,4-6H,3H2,1H3
InChIKeyUNPARWRULHIDRP-UHFFFAOYSA-N
XLogP1.67
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine (CID 130220586) is 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine is CN1C=C(F)C2CC=CN=C21.
What is the InChIKey of 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is UNPARWRULHIDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2,4-6H,3H2,1H3.
What are the key properties of 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine?
3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 152.17 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-3a,4-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130220586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).