2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile

C11H12ClN3O — CID 90219831

IUPAC2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccc(Cl)nc1)N1CCOCC1
InChIInChI=1S/C11H12ClN3O/c12-11-2-1-9(8-14-11)10(7-13)15-3-5-16-6-4-15/h1-2,8,10H,3-6H2
InChIKeyNCADOPLMHPBFLZ-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.63
Rot. Bonds2

About 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile

2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile (PubChem CID 90219831) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
PubChem CID90219831
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
SMILESN#CC(c1ccc(Cl)nc1)N1CCOCC1
InChIInChI=1S/C11H12ClN3O/c12-11-2-1-9(8-14-11)10(7-13)15-3-5-16-6-4-15/h1-2,8,10H,3-6H2
InChIKeyNCADOPLMHPBFLZ-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-2-morpholin-4-ylacetonitrile
CID 591795
(2R)-2-morpholin-4-yl-2-pyridin-3-ylacetonitrile
CID 1478936
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetonitrile
CID 703306
2-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylacetonitrile
CID 67533209
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
5-[cyano(morpholin-4-yl)methyl]-2-methoxybenzonitrile
CID 65340879
2-(4-chloro-2-methyl-1H-imidazol-5-yl)-2-morpholin-4-ylacetonitrile
CID 84741318
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
(2S)-2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 1487174
2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
CID 79583834

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile (CID 90219831) is 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile is N#CC(c1ccc(Cl)nc1)N1CCOCC1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile?
The InChIKey is NCADOPLMHPBFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11-2-1-9(8-14-11)10(7-13)15-3-5-16-6-4-15/h1-2,8,10H,3-6H2.
What are the key properties of 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile?
2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile has a molecular weight of 237.69 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile is sourced from PubChem (CID 90219831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).