3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one

C8H10ClNO — CID 82526324

IUPAC3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CCl)c(=O)[nH]1
InChIInChI=1S/C8H10ClNO/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4H2,1-2H3,(H,10,11)
InChIKeyKMPGZPMOUOBPFK-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.73
Rot. Bonds1

About 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one

3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 82526324) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
PubChem CID82526324
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CCl)c(=O)[nH]1
InChIInChI=1S/C8H10ClNO/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4H2,1-2H3,(H,10,11)
InChIKeyKMPGZPMOUOBPFK-UHFFFAOYSA-N
XLogP1.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-3-(2-methylpropyl)-1H-pyridin-2-one
CID 163379410
3-(chloromethyl)-6-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130083780
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetic acid
CID 82526321
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]hexanamide
CID 38743387
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 133345509
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
3-isocyano-4,6-dimethyl-1H-pyridin-2-one
CID 140776702
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one (CID 82526324) is 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CCl)c(=O)[nH]1.
What is the InChIKey of 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is KMPGZPMOUOBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4H2,1-2H3,(H,10,11).
What are the key properties of 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one?
3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 171.63 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 82526324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).