2-chloro-6-morpholin-4-ylbenzonitrile

C11H11ClN2O — CID 2804371

IUPAC2-chloro-6-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C11H11ClN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyUAQGIIVRECJHSJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.05
Rot. Bonds1

About 2-chloro-6-morpholin-4-ylbenzonitrile

2-chloro-6-morpholin-4-ylbenzonitrile (PubChem CID 2804371) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-ylbenzonitrile.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-ylbenzonitrile
PubChem CID2804371
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-chloro-6-morpholin-4-ylbenzonitrile
SMILESN#Cc1c(Cl)cccc1N1CCOCC1
InChIInChI=1S/C11H11ClN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2
InChIKeyUAQGIIVRECJHSJ-UHFFFAOYSA-N
XLogP2.05
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-ylbenzonitrile?
The IUPAC name of 2-chloro-6-morpholin-4-ylbenzonitrile (CID 2804371) is 2-chloro-6-morpholin-4-ylbenzonitrile.
What is the SMILES notation for 2-chloro-6-morpholin-4-ylbenzonitrile?
The canonical SMILES for 2-chloro-6-morpholin-4-ylbenzonitrile is N#Cc1c(Cl)cccc1N1CCOCC1.
What is the InChIKey of 2-chloro-6-morpholin-4-ylbenzonitrile?
The InChIKey is UAQGIIVRECJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-2-1-3-11(9(10)8-13)14-4-6-15-7-5-14/h1-3H,4-7H2.
What are the key properties of 2-chloro-6-morpholin-4-ylbenzonitrile?
2-chloro-6-morpholin-4-ylbenzonitrile has a molecular weight of 222.68 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-morpholin-4-ylbenzonitrile is sourced from PubChem (CID 2804371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).