4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile

C11H11Cl2N3O — CID 106993855

IUPAC4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccc(Cl)nc2Cl)CCO1
InChIInChI=1S/C11H11Cl2N3O/c12-10-2-1-8(11(13)15-10)6-16-3-4-17-9(5-14)7-16/h1-2,9H,3-4,6-7H2
InChIKeyXMJARPDEEAVMLS-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.11
Rot. Bonds2

About 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile

4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile (PubChem CID 106993855) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
PubChem CID106993855
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile
SMILESN#CC1CN(Cc2ccc(Cl)nc2Cl)CCO1
InChIInChI=1S/C11H11Cl2N3O/c12-10-2-1-8(11(13)15-10)6-16-3-4-17-9(5-14)7-16/h1-2,9H,3-4,6-7H2
InChIKeyXMJARPDEEAVMLS-UHFFFAOYSA-N
XLogP2.11
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chloro-2-nitrophenyl)methyl]morpholine-2-carbonitrile
CID 78967307
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
(3R)-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrrolidin-3-amine
CID 106994957
4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine
CID 106993529
4-[(2-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 79674457
4-(quinolin-2-ylmethyl)morpholine-2-carbonitrile
CID 78995631
4-(pyridin-2-ylmethyl)morpholine-2-carbonitrile
CID 78967411
4-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carbonitrile
CID 78946009
3-[(2-cyanomorpholin-4-yl)methyl]thiophene-2-carboxylic acid
CID 79674635
4-[(2-amino-6-chlorophenyl)methyl]morpholine-2-carbonitrile
CID 79665254
4-[(2-fluoro-4-methoxyphenyl)methyl]morpholine-2-carbonitrile
CID 102876748
5-[(2,6-dichloro-3-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106994934

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile (CID 106993855) is 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile is N#CC1CN(Cc2ccc(Cl)nc2Cl)CCO1.
What is the InChIKey of 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile?
The InChIKey is XMJARPDEEAVMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c12-10-2-1-8(11(13)15-10)6-16-3-4-17-9(5-14)7-16/h1-2,9H,3-4,6-7H2.
What are the key properties of 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile?
4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile has a molecular weight of 272.13 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-3-pyridinyl)methyl]morpholine-2-carbonitrile is sourced from PubChem (CID 106993855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).