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

C12H11FN2O — CID 79686870

IUPAC2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
SMILESN#Cc1cc(N2CCCCC2=O)ccc1F
InChIInChI=1S/C12H11FN2O/c13-11-5-4-10(7-9(11)8-14)15-6-2-1-3-12(15)16/h4-5,7H,1-3,6H2
InChIKeyIEOKFMLUHJUHJJ-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.21
Rot. Bonds1

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

2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile (PubChem CID 79686870) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
PubChem CID79686870
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile
SMILESN#Cc1cc(N2CCCCC2=O)ccc1F
InChIInChI=1S/C12H11FN2O/c13-11-5-4-10(7-9(11)8-14)15-6-2-1-3-12(15)16/h4-5,7H,1-3,6H2
InChIKeyIEOKFMLUHJUHJJ-UHFFFAOYSA-N
XLogP2.21
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53417042
2-fluoro-5-(2-iminopiperidin-1-yl)benzonitrile
CID 62315767
5-(2-oxopiperidin-1-yl)-2-propan-2-ylbenzonitrile
CID 176647750
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
2-chloro-4-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53416774
1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide
CID 22240517
1-(4-chlorophenyl)piperidin-2-one
CID 53422142
1-(3-fluoro-4-methoxyphenyl)piperidin-2-one
CID 142754617
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzonitrile
CID 107881969
(E)-3-[2-fluoro-5-(2-oxopiperidin-1-yl)phenyl]prop-2-enoic acid
CID 104781492
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-(4-aminophenyl)piperidin-2-one
CID 11458178

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile (CID 79686870) is 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile is N#Cc1cc(N2CCCCC2=O)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile?
The InChIKey is IEOKFMLUHJUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-11-5-4-10(7-9(11)8-14)15-6-2-1-3-12(15)16/h4-5,7H,1-3,6H2.
What are the key properties of 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile?
2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile has a molecular weight of 218.23 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-oxopiperidin-1-yl)benzonitrile is sourced from PubChem (CID 79686870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).