2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile

C11H10ClFN2O — CID 729490

IUPAC2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile
SMILESN#Cc1cc(F)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c12-9-6-11(10(13)5-8(9)7-14)15-1-3-16-4-2-15/h5-6H,1-4H2
InChIKeyHGSJAUDOJVLMMP-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile

2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile (PubChem CID 729490) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile
PubChem CID729490
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile
SMILESN#Cc1cc(F)c(N2CCOCC2)cc1Cl
InChIInChI=1S/C11H10ClFN2O/c12-9-6-11(10(13)5-8(9)7-14)15-1-3-16-4-2-15/h5-6H,1-4H2
InChIKeyHGSJAUDOJVLMMP-UHFFFAOYSA-N
XLogP2.19
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-piperazin-1-yl-benzonitrile
CID 1077631
2-Chloro-6-morpholin-4-ylbenzonitrile
CID 2804371
3-Chloro-4-((morpholin-4-yl)methyl)aniline
CID 28721838
2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)benzonitrile
CID 6486815
2-Chloro-5-fluoro-4-pyrrolidin-1-ylbenzonitrile
CID 6486817
2-Chloro-4-[2-(methoxymethyl)morpholin-4-yl]benzonitrile
CID 71996197
2-Chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]benzonitrile
CID 72003565
3-Fluoro-5-(4-morpholinyl)benzonitrile
CID 11298685
2-Chloro-5-fluoro-4-(4-propanoylpiperazin-1-yl)benzonitrile
CID 544756
1(2H)-Pyrazinecarboxylic acid, 4-(5-chloro-4-cyano-2-fluorophenyl)tetrahydro-, ethyl ester
CID 1163794
3-Fluoro-4-(morpholin-4-yl)benzonitrile
CID 1122303
2-chloro-6-[(2S)-2-methyl-1,4-oxazepan-4-yl]benzonitrile
CID 124465258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile?
The IUPAC name of 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile (CID 729490) is 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile?
The canonical SMILES for 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile is N#Cc1cc(F)c(N2CCOCC2)cc1Cl.
What is the InChIKey of 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile?
The InChIKey is HGSJAUDOJVLMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c12-9-6-11(10(13)5-8(9)7-14)15-1-3-16-4-2-15/h5-6H,1-4H2.
What are the key properties of 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile?
2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile has a molecular weight of 240.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 729490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).