3-chloro-2,6-dimethyl-1H-pyridin-4-one

C7H8ClNO — CID 593917

IUPAC3-chloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(Cl)c(C)[nH]1
InChIInChI=1S/C7H8ClNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10)
InChIKeyUQBTVFMBVKTWNY-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.65
Rot. Bonds

About 3-chloro-2,6-dimethyl-1H-pyridin-4-one

3-chloro-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 593917) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-chloro-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2,6-dimethyl-1H-pyridin-4-one
PubChem CID593917
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name3-chloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(Cl)c(C)[nH]1
InChIInChI=1S/C7H8ClNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10)
InChIKeyUQBTVFMBVKTWNY-UHFFFAOYSA-N
XLogP1.65
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-2,6-dimethyl-1H-pyridin-4-one (CID 593917) is 3-chloro-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(Cl)c(C)[nH]1.
What is the InChIKey of 3-chloro-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is UQBTVFMBVKTWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10).
What are the key properties of 3-chloro-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 157.60 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 593917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).