5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C10H13FN2 — CID 118489346

IUPAC5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=C(F)C=CC2N1
InChIInChI=1S/C10H13FN2/c1-6(2)8-5-9-7(12-8)3-4-10(11)13-9/h3-7,9,12H,1-2H3
InChIKeyRKNBRCWTJPOPIG-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.80
Rot. Bonds1

About 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118489346) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118489346
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC(C)C1=CC2N=C(F)C=CC2N1
InChIInChI=1S/C10H13FN2/c1-6(2)8-5-9-7(12-8)3-4-10(11)13-9/h3-7,9,12H,1-2H3
InChIKeyRKNBRCWTJPOPIG-UHFFFAOYSA-N
XLogP1.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118489346) is 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC(C)C1=CC2N=C(F)C=CC2N1.
What is the InChIKey of 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is RKNBRCWTJPOPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-6(2)8-5-9-7(12-8)3-4-10(11)13-9/h3-7,9,12H,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 180.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118489346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).