4,6-dimethyl-1H-pyridin-2-one;hydrochloride

C7H10ClNO — CID 142706919

IUPAC4,6-dimethyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C)[nH]c(=O)c1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-5-3-6(2)8-7(9)4-5;/h3-4H,1-2H3,(H,8,9);1H
InChIKeyJHLZWEMZHZGRQA-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.41
Rot. Bonds

About 4,6-dimethyl-1H-pyridin-2-one;hydrochloride

4,6-dimethyl-1H-pyridin-2-one;hydrochloride (PubChem CID 142706919) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 4,6-dimethyl-1H-pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-1H-pyridin-2-one;hydrochloride
PubChem CID142706919
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name4,6-dimethyl-1H-pyridin-2-one;hydrochloride
SMILESCc1cc(C)[nH]c(=O)c1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-5-3-6(2)8-7(9)4-5;/h3-4H,1-2H3,(H,8,9);1H
InChIKeyJHLZWEMZHZGRQA-UHFFFAOYSA-N
XLogP1.41
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethyl-1H-pyridin-2-one;ethane
CID 91063629
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
6-methyl-1H-pyrimidine-2,4-dione
CID 160901514
3,4-dihydro-2H-isoquinolin-1-one;4,6-dimethyl-1H-pyridin-2-one
CID 161236583
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
6-(bromomethyl)-4-methyl-1H-pyridin-2-one
CID 130951385
N,2-dimethyl-6-oxo-1H-pyridine-4-carboxamide
CID 59355711
6-(113C)methyl-2-sulfanylidene-(4,5,6-13C3)1H-pyrimidin-4-one
CID 169443936
4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 130906074
2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 68620934
4-methyl-6-(4-oxocyclohexyl)-1H-pyridin-2-one
CID 163370424
6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 121232307

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
The IUPAC name of 4,6-dimethyl-1H-pyridin-2-one;hydrochloride (CID 142706919) is 4,6-dimethyl-1H-pyridin-2-one;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
The canonical SMILES for 4,6-dimethyl-1H-pyridin-2-one;hydrochloride is Cc1cc(C)[nH]c(=O)c1.Cl.
What is the InChIKey of 4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
The InChIKey is JHLZWEMZHZGRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-5-3-6(2)8-7(9)4-5;/h3-4H,1-2H3,(H,8,9);1H.
What are the key properties of 4,6-dimethyl-1H-pyridin-2-one;hydrochloride?
4,6-dimethyl-1H-pyridin-2-one;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1H-pyridin-2-one;hydrochloride is sourced from PubChem (CID 142706919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).