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

C7H7ClFNO — CID 3016188

IUPAC3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(Cl)c(=O)c1F
InChIInChI=1S/C7H7ClFNO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
InChIKeyXBVORJCQIXDJCL-UHFFFAOYSA-N
MW175.59 g/mol
LogP1.78
Rot. Bonds

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

3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 3016188) has the molecular formula C7H7ClFNO and a molecular weight of 175.59 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
PubChem CID3016188
Molecular FormulaC7H7ClFNO
Molecular Weight175.59 g/mol
Exact Mass175.02
IUPAC Name3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1[nH]c(C)c(Cl)c(=O)c1F
InChIInChI=1S/C7H7ClFNO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
InChIKeyXBVORJCQIXDJCL-UHFFFAOYSA-N
XLogP1.78
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.59
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one (CID 3016188) is 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one is Cc1[nH]c(C)c(Cl)c(=O)c1F.
What is the InChIKey of 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is XBVORJCQIXDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFNO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11).
What are the key properties of 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one?
3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 175.59 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 3016188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).