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

C6H5ClFNO — CID 19791179

IUPAC4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c(F)c[nH]c1=O
InChIInChI=1S/C6H5ClFNO/c1-3-5(7)4(8)2-9-6(3)10/h2H,1H3,(H,9,10)
InChIKeyFVIRPMGXFDVPNF-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.48
Rot. Bonds

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

4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one (PubChem CID 19791179) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
PubChem CID19791179
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c(F)c[nH]c1=O
InChIInChI=1S/C6H5ClFNO/c1-3-5(7)4(8)2-9-6(3)10/h2H,1H3,(H,9,10)
InChIKeyFVIRPMGXFDVPNF-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

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Related Compounds

4-Fluoro-3-methylpyridin-2-ol
CID 72212936
5-Chloro-3-(trifluoromethyl)pyridin-2-ol
CID 18988867
4-Chloro-2-hydroxy-3-(trifluoromethyl)pyridine
CID 53945305
5-Fluoro-3-methylpyridin-2-OL
CID 60150205
3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449841
5-chloro-3-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449844
4-bromo-5-fluoro-3-methyl-1H-pyridin-2-one
CID 91081042
5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
CID 150147770
5-Fluoro-3,4-dimethyl-1,2-dihydropyridin-2-one
CID 83668982
4-Amino-5-chloro-3-(difluoromethyl)pyridin-2-ol
CID 118800931
4-Chloro-3-(difluoromethyl)-5-fluoropyridin-2-ol
CID 118816780
4,5-Dichloro-3-(difluoromethyl)pyridin-2-ol
CID 118817923

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one?
The IUPAC name of 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one (CID 19791179) is 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one is Cc1c(Cl)c(F)c[nH]c1=O.
What is the InChIKey of 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one?
The InChIKey is FVIRPMGXFDVPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c1-3-5(7)4(8)2-9-6(3)10/h2H,1H3,(H,9,10).
What are the key properties of 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one?
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-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 4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 19791179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).