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

C7H10ClNO — CID 44887209

IUPAC2,6-dimethyl-1H-pyridin-4-one;hydrochloride
SMILESCc1cc(=O)cc(C)[nH]1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-5-3-7(9)4-6(2)8-5;/h3-4H,1-2H3,(H,8,9);1H
InChIKeyQVFXKLBWQPIZDJ-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.41
Rot. Bonds

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

2,6-dimethyl-1H-pyridin-4-one;hydrochloride (PubChem CID 44887209) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 2,6-dimethyl-1H-pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name2,6-dimethyl-1H-pyridin-4-one;hydrochloride
PubChem CID44887209
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name2,6-dimethyl-1H-pyridin-4-one;hydrochloride
SMILESCc1cc(=O)cc(C)[nH]1.Cl
InChIInChI=1S/C7H9NO.ClH/c1-5-3-7(9)4-6(2)8-5;/h3-4H,1-2H3,(H,8,9);1H
InChIKeyQVFXKLBWQPIZDJ-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

2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
CID 605476
2-ethoxy-6-methyl-1H-pyridin-4-one
CID 119090762
4,6-dimethyl-1H-pyridin-2-one;hydrochloride
CID 142706919
2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
CID 95841142
6-methyl-1H-pyrimidine-2,4-dione
CID 160901514
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322
2-methyl-6-pyrrolidin-3-yl-1H-pyridin-4-one
CID 73439726
2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one
CID 92615202
2-[(3E)-hexa-1,3,5-trien-3-yl]-6-methyl-1H-pyridin-4-one
CID 143874745
4,6-dimethyl-1H-pyridin-2-one;ethane
CID 91063629
(2E,3E)-2,3-di(ethylidene)-6-methyl-1H-pyridin-4-one
CID 144634156
2-(2,3-dimethoxy-5-methylphenyl)-6-methyl-1H-pyridin-4-one
CID 169250098

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
The IUPAC name of 2,6-dimethyl-1H-pyridin-4-one;hydrochloride (CID 44887209) is 2,6-dimethyl-1H-pyridin-4-one;hydrochloride.
What is the SMILES notation for 2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
The canonical SMILES for 2,6-dimethyl-1H-pyridin-4-one;hydrochloride is Cc1cc(=O)cc(C)[nH]1.Cl.
What is the InChIKey of 2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
The InChIKey is QVFXKLBWQPIZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-5-3-7(9)4-6(2)8-5;/h3-4H,1-2H3,(H,8,9);1H.
What are the key properties of 2,6-dimethyl-1H-pyridin-4-one;hydrochloride?
2,6-dimethyl-1H-pyridin-4-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 2,6-dimethyl-1H-pyridin-4-one;hydrochloride is sourced from PubChem (CID 44887209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).