2-(5-fluoro-2-pyridinyl)hexanenitrile

C11H13FN2 — CID 56840723

IUPAC2-(5-fluoro-2-pyridinyl)hexanenitrile
SMILESCCCCC(C#N)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3
InChIKeyFGPHHVJPLSFCEP-UHFFFAOYSA-N
MW192.24 g/mol
LogP3.02
Rot. Bonds4

About 2-(5-fluoro-2-pyridinyl)hexanenitrile

2-(5-fluoro-2-pyridinyl)hexanenitrile (PubChem CID 56840723) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)hexanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)hexanenitrile
PubChem CID56840723
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-(5-fluoro-2-pyridinyl)hexanenitrile
SMILESCCCCC(C#N)c1ccc(F)cn1
InChIInChI=1S/C11H13FN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3
InChIKeyFGPHHVJPLSFCEP-UHFFFAOYSA-N
XLogP3.02
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)hexanenitrile?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)hexanenitrile (CID 56840723) is 2-(5-fluoro-2-pyridinyl)hexanenitrile.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)hexanenitrile?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)hexanenitrile is CCCCC(C#N)c1ccc(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)hexanenitrile?
The InChIKey is FGPHHVJPLSFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-3-4-9(7-13)11-6-5-10(12)8-14-11/h5-6,8-9H,2-4H2,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)hexanenitrile?
2-(5-fluoro-2-pyridinyl)hexanenitrile has a molecular weight of 192.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)hexanenitrile is sourced from PubChem (CID 56840723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).