5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine

C9H11FN2 — CID 155197931

IUPAC5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCC1=CC2=CC(F)=CN(C)C2N1
InChIInChI=1S/C9H11FN2/c1-6-3-7-4-8(10)5-12(2)9(7)11-6/h3-5,9,11H,1-2H3
InChIKeyHVEHINAOYZJOCI-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.50
Rot. Bonds

About 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine

5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine (PubChem CID 155197931) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
PubChem CID155197931
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCC1=CC2=CC(F)=CN(C)C2N1
InChIInChI=1S/C9H11FN2/c1-6-3-7-4-8(10)5-12(2)9(7)11-6/h3-5,9,11H,1-2H3
InChIKeyHVEHINAOYZJOCI-UHFFFAOYSA-N
XLogP1.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine (CID 155197931) is 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine is CC1=CC2=CC(F)=CN(C)C2N1.
What is the InChIKey of 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is HVEHINAOYZJOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-6-3-7-4-8(10)5-12(2)9(7)11-6/h3-5,9,11H,1-2H3.
What are the key properties of 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine?
5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 166.20 g/mol, XLogP of 1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155197931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).