3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one

C7H7Cl2NO — CID 18087

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IUPAC3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(Cl)c(=O)c1Cl
InChIInChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
InChIKeyZDPIZLCVJAAHHR-UHFFFAOYSA-N
MW192.04 g/mol
LogP2.30
Rot. Bonds

About 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one

3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 18087) has the molecular formula C7H7Cl2NO and a molecular weight of 192.04 g/mol. Its IUPAC name is 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
PubChem CID18087
Molecular FormulaC7H7Cl2NO
Molecular Weight192.04 g/mol
Exact Mass190.99
IUPAC Name3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(Cl)c(=O)c1Cl
InChIInChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
InChIKeyZDPIZLCVJAAHHR-UHFFFAOYSA-N
XLogP2.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.04
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-6-fluoro-2-methyl-1H-pyridin-4-one
CID 176341489
4-Pyridinol, 3-chloro-2,6-dimethyl-
CID 593917
3-Fluoro-5-chloro-2,6-dimethyl-4-pyridinol
CID 3016188
4-Pyridinol, 3-amino-5-chloro-2,6-dimethyl-
CID 599103
4-Pyridinol 3,5-dichloro-2-ethyl-6-methyl-
CID 609392
4-Pyridinol, 3,5-dichloro-2,6-diethyl-
CID 613051
4-Pyridinol, 3-chloro-2-methyl-6-trichloromethyl-
CID 614313
CID 17579577
CID 17579577
3,5-dichloro-2,6-dipropyl-1H-pyridin-4-one
CID 54168668
3-chloro-5-iodo-2,6-dimethyl-1H-pyridin-4-one
CID 57479255
3,5-dichloro-2-methoxy-6-methyl-1H-pyridin-4-one
CID 59956648
3,5-dichloro-2-methyl-6-(trichloromethyl)-1H-pyridin-4-one
CID 68111129

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one (CID 18087) is 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(Cl)c(=O)c1Cl.
What is the InChIKey of 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is ZDPIZLCVJAAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11).
What are the key properties of 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one?
3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 192.04 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 18087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).