2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile

C12H12FN3 — CID 62315767

IUPAC2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
SMILES[H]/N=C1\CCCCN1c1ccc(F)c(C#N)c1
InChIInChI=1S/C12H12FN3/c13-11-5-4-10(7-9(11)8-14)16-6-2-1-3-12(16)15/h4-5,7,15H,1-3,6H2/b15-12+
InChIKeyFUEVCYLZXOOAMV-NTCAYCPXSA-N
MW217.25 g/mol
LogP2.66
Rot. Bonds1

About 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile

2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile (PubChem CID 62315767) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
PubChem CID62315767
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
SMILES[H]/N=C1\CCCCN1c1ccc(F)c(C#N)c1
InChIInChI=1S/C12H12FN3/c13-11-5-4-10(7-9(11)8-14)16-6-2-1-3-12(16)15/h4-5,7,15H,1-3,6H2/b15-12+
InChIKeyFUEVCYLZXOOAMV-NTCAYCPXSA-N
XLogP2.66
TPSA50.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile (CID 62315767) is 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile is [H]/N=C1\CCCCN1c1ccc(F)c(C#N)c1.
What is the InChIKey of 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile?
The InChIKey is FUEVCYLZXOOAMV-NTCAYCPXSA-N. The full InChI is InChI=1S/C12H12FN3/c13-11-5-4-10(7-9(11)8-14)16-6-2-1-3-12(16)15/h4-5,7,15H,1-3,6H2/b15-12+.
What are the key properties of 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile?
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile is sourced from PubChem (CID 62315767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).