4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile

C11H12ClN3O — CID 80629449

IUPAC4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(CCl)cn2)CCO1
InChIInChI=1S/C11H12ClN3O/c12-5-9-1-2-11(14-7-9)15-3-4-16-10(6-13)8-15/h1-2,7,10H,3-5,8H2
InChIKeyXKYPVJOPBKTLAF-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.55
Rot. Bonds2

About 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile

4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile (PubChem CID 80629449) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile
PubChem CID80629449
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(CCl)cn2)CCO1
InChIInChI=1S/C11H12ClN3O/c12-5-9-1-2-11(14-7-9)15-3-4-16-10(6-13)8-15/h1-2,7,10H,3-5,8H2
InChIKeyXKYPVJOPBKTLAF-UHFFFAOYSA-N
XLogP1.55
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[5-(chloromethyl)-3-methyl-2-pyridinyl]morpholine-2-carbonitrile
CID 80629448
4-pyridin-2-ylmorpholine-2-carbonitrile
CID 78946454
ethyl 6-(2-cyanomorpholin-4-yl)pyridine-3-carboxylate
CID 78946431
4-[4-(bromomethyl)-2-chlorophenyl]morpholine-2-carbonitrile
CID 107084476
4-(6-cyano-3-pyridinyl)morpholine-2-carbonitrile
CID 79838851
4-(6-ethoxy-2-pyridinyl)morpholine-2-carbonitrile
CID 79675246
5-(chloromethyl)-2-(3,5-dimethylpiperidin-1-yl)pyridine
CID 61257198
4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
CID 83268548
4-(2-hydrazinylpyrimidin-4-yl)morpholine-2-carbonitrile
CID 80929416
4-phenylmorpholine-2-carbonitrile
CID 67651414
4-[6-(methylamino)pyrazin-2-yl]morpholine-2-carbonitrile
CID 80849516
[6-(2-ethylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 43562218

Frequently Asked Questions

What is the IUPAC name of 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile (CID 80629449) is 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile is N#CC1CN(c2ccc(CCl)cn2)CCO1.
What is the InChIKey of 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile?
The InChIKey is XKYPVJOPBKTLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-5-9-1-2-11(14-7-9)15-3-4-16-10(6-13)8-15/h1-2,7,10H,3-5,8H2.
What are the key properties of 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile?
4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile has a molecular weight of 237.69 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(chloromethyl)-2-pyridinyl]morpholine-2-carbonitrile is sourced from PubChem (CID 80629449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).