6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

C8H9FN2 — CID 118491774

IUPAC6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=CC(F)=CC2N1
InChIInChI=1S/C8H9FN2/c1-5-2-7-8(11-5)3-6(9)4-10-7/h2-4,7-8,11H,1H3
InChIKeyLMEXVSQGIYXBQY-UHFFFAOYSA-N
MW152.17 g/mol
LogP1.17
Rot. Bonds

About 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine

6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (PubChem CID 118491774) has the molecular formula C8H9FN2 and a molecular weight of 152.17 g/mol. Its IUPAC name is 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
PubChem CID118491774
Molecular FormulaC8H9FN2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
SMILESCC1=CC2N=CC(F)=CC2N1
InChIInChI=1S/C8H9FN2/c1-5-2-7-8(11-5)3-6(9)4-10-7/h2-4,7-8,11H,1H3
InChIKeyLMEXVSQGIYXBQY-UHFFFAOYSA-N
XLogP1.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine (CID 118491774) is 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is CC1=CC2N=CC(F)=CC2N1.
What is the InChIKey of 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is LMEXVSQGIYXBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2/c1-5-2-7-8(11-5)3-6(9)4-10-7/h2-4,7-8,11H,1H3.
What are the key properties of 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine?
6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 152.17 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 118491774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).