5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

C11H15FN2 — CID 166712707

IUPAC5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CNC2N=CC(C(C)(C)F)=CC12
InChIInChI=1S/C11H15FN2/c1-7-5-13-10-9(7)4-8(6-14-10)11(2,3)12/h4-6,9-10,13H,1-3H3
InChIKeyRWHBLUVZBQEMPC-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.19
Rot. Bonds1

About 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine

5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166712707) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID166712707
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=CNC2N=CC(C(C)(C)F)=CC12
InChIInChI=1S/C11H15FN2/c1-7-5-13-10-9(7)4-8(6-14-10)11(2,3)12/h4-6,9-10,13H,1-3H3
InChIKeyRWHBLUVZBQEMPC-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 166712707) is 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is CC1=CNC2N=CC(C(C)(C)F)=CC12.
What is the InChIKey of 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RWHBLUVZBQEMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-7-5-13-10-9(7)4-8(6-14-10)11(2,3)12/h4-6,9-10,13H,1-3H3.
What are the key properties of 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine?
5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 194.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoropropan-2-yl)-3-methyl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166712707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).