5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

C8H6FN3 — CID 126731668

IUPAC5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
SMILESN#CC1=C(F)CNc2[nH]ccc21
InChIInChI=1S/C8H6FN3/c9-7-4-12-8-5(1-2-11-8)6(7)3-10/h1-2,11-12H,4H2
InChIKeyKKCJVAXZXBRMOU-UHFFFAOYSA-N
MW163.16 g/mol
LogP1.64
Rot. Bonds

About 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile

5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (PubChem CID 126731668) has the molecular formula C8H6FN3 and a molecular weight of 163.16 g/mol. Its IUPAC name is 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
PubChem CID126731668
Molecular FormulaC8H6FN3
Molecular Weight163.16 g/mol
Exact Mass163.05
IUPAC Name5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile
SMILESN#CC1=C(F)CNc2[nH]ccc21
InChIInChI=1S/C8H6FN3/c9-7-4-12-8-5(1-2-11-8)6(7)3-10/h1-2,11-12H,4H2
InChIKeyKKCJVAXZXBRMOU-UHFFFAOYSA-N
XLogP1.64
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The IUPAC name of 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile (CID 126731668) is 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile.
What is the SMILES notation for 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The canonical SMILES for 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is N#CC1=C(F)CNc2[nH]ccc21.
What is the InChIKey of 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
The InChIKey is KKCJVAXZXBRMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3/c9-7-4-12-8-5(1-2-11-8)6(7)3-10/h1-2,11-12H,4H2.
What are the key properties of 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile?
5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile has a molecular weight of 163.16 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6,7-dihydro-1H-pyrrolo[2,3-b]pyridine-4-carbonitrile is sourced from PubChem (CID 126731668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).