2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one

C6H5ClFNO — CID 44754852

IUPAC2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one
SMILESCc1c(Cl)[nH]cc(F)c1=O
InChIInChI=1S/C6H5ClFNO/c1-3-5(10)4(8)2-9-6(3)7/h2H,1H3,(H,9,10)
InChIKeyIDHJPOCYPRVHGE-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.48
Rot. Bonds

About 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one

2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one (PubChem CID 44754852) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one
PubChem CID44754852
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one
SMILESCc1c(Cl)[nH]cc(F)c1=O
InChIInChI=1S/C6H5ClFNO/c1-3-5(10)4(8)2-9-6(3)7/h2H,1H3,(H,9,10)
InChIKeyIDHJPOCYPRVHGE-UHFFFAOYSA-N
XLogP1.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-5-methylpyridin-4-ol
CID 71758064
3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one
CID 20767660
3-Fluoro-4-hydroxy-5-picoline
CID 44754846
2-Fluoro-3-methylpyridin-4-OL
CID 72212933
2-bromo-3-fluoro-5-methyl-1H-pyridin-4-one
CID 135317670
3-ethyl-5-fluoro-1H-pyridin-4-one
CID 146507314
2-Chloro-3-fluoro-4-hydroxy-5-picoline
CID 44754845
2-Chloro-5-(trifluoromethyl)pyridin-4-ol
CID 66570670
2-Chloro-4-hydroxy-3-(trifluoromethyl)pyridine
CID 72212903
2-Fluoro-5-methylpyridin-4-OL
CID 72212934
3-Chloro-5-(trifluoromethyl)pyridin-4-OL
CID 72217223
2-chloro-5-iodo-3-(trifluoromethyl)-1H-pyridin-4-one
CID 91654801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one?
The IUPAC name of 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one (CID 44754852) is 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one is Cc1c(Cl)[nH]cc(F)c1=O.
What is the InChIKey of 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one?
The InChIKey is IDHJPOCYPRVHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c1-3-5(10)4(8)2-9-6(3)7/h2H,1H3,(H,9,10).
What are the key properties of 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one?
2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one has a molecular weight of 161.56 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-methyl-1H-pyridin-4-one is sourced from PubChem (CID 44754852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).