1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C9H9ClN2O2 — CID 21022658

IUPAC1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CCl)c(=O)c1C#N
InChIInChI=1S/C9H9ClN2O2/c1-5-6(2)8(13)12(4-10)9(14)7(5)3-11/h13H,4H2,1-2H3
InChIKeyHYOCDZUYXYJIKO-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.24
Rot. Bonds1

About 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 21022658) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID21022658
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C)c(O)n(CCl)c(=O)c1C#N
InChIInChI=1S/C9H9ClN2O2/c1-5-6(2)8(13)12(4-10)9(14)7(5)3-11/h13H,4H2,1-2H3
InChIKeyHYOCDZUYXYJIKO-UHFFFAOYSA-N
XLogP1.24
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Hydroxy-1,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 117918
6-Hydroxy-1,5-dimethyl-2-oxo-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 58731114
(5Z)-5-(hydroxymethylidene)-1,4-dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
CID 803059
6-Hydroxy-1,3,4,5-tetramethylpyridin-2-one
CID 20658982
1-(Cyanomethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 21022659
6-Hydroxy-1,4,5-trimethyl-2-oxopyridine-3-carbonitrile
CID 23517638
1-Ethyl-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 50888652
6-Hydroxy-4,5-dimethyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 50888661
1,5-Diethyl-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 50888810
1-Butyl-6-hydroxy-4,5-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 57549033
CID 58618894
CID 58618894
1-[3-(Dimethylamino)propyl]-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 59712700

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 21022658) is 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1c(C)c(O)n(CCl)c(=O)c1C#N.
What is the InChIKey of 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is HYOCDZUYXYJIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-5-6(2)8(13)12(4-10)9(14)7(5)3-11/h13H,4H2,1-2H3.
What are the key properties of 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 212.64 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-6-hydroxy-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 21022658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).