4-(2,4-dichlorophenyl)morpholine-3-carbonitrile

C11H10Cl2N2O — CID 117009102

IUPAC4-(2,4-dichlorophenyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-1-2-11(10(13)5-8)15-3-4-16-7-9(15)6-14/h1-2,5,9H,3-4,7H2
InChIKeyQYPWSSJCTKNTFM-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.72
Rot. Bonds1

About 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile

4-(2,4-dichlorophenyl)morpholine-3-carbonitrile (PubChem CID 117009102) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)morpholine-3-carbonitrile
PubChem CID117009102
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name4-(2,4-dichlorophenyl)morpholine-3-carbonitrile
SMILESN#CC1COCCN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2N2O/c12-8-1-2-11(10(13)5-8)15-3-4-16-7-9(15)6-14/h1-2,5,9H,3-4,7H2
InChIKeyQYPWSSJCTKNTFM-UHFFFAOYSA-N
XLogP2.72
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)morpholine-3-carbonitrile
CID 117009072
4-(2,3-dihydro-1,4-benzodioxin-6-yl)morpholine-3-carbonitrile
CID 117009100
(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholine-3-carbonitrile
CID 125131193
4-[4-(trifluoromethyl)phenyl]morpholine-3-carbonitrile
CID 117009087
4-(5-chloropyridine-2-carbonyl)morpholine-3-carbonitrile
CID 71980148
4-(4-propan-2-yloxyphenyl)morpholine-3-carbonitrile
CID 117009081
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
2-[1-(2,4-dichlorophenyl)piperidin-4-yl]acetonitrile
CID 117003663
4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
CID 81152265
1-(5-chloro-2-methylphenyl)aziridine-2-carbonitrile
CID 117009821
2-chloro-6-(3-methylmorpholin-4-yl)benzonitrile
CID 55028843
2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile?
The IUPAC name of 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile (CID 117009102) is 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile.
What is the SMILES notation for 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile?
The canonical SMILES for 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile is N#CC1COCCN1c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile?
The InChIKey is QYPWSSJCTKNTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c12-8-1-2-11(10(13)5-8)15-3-4-16-7-9(15)6-14/h1-2,5,9H,3-4,7H2.
What are the key properties of 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile?
4-(2,4-dichlorophenyl)morpholine-3-carbonitrile has a molecular weight of 257.12 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)morpholine-3-carbonitrile is sourced from PubChem (CID 117009102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).