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

C6H5ClFNO — CID 150147770

IUPAC5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c[nH]c(=O)c1F
InChIInChI=1S/C6H5ClFNO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
InChIKeyFEPQNBIOJQRJQW-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.48
Rot. Bonds

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

5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one (PubChem CID 150147770) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
PubChem CID150147770
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1c(Cl)c[nH]c(=O)c1F
InChIInChI=1S/C6H5ClFNO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10)
InChIKeyFEPQNBIOJQRJQW-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

3-Chloro-4-methylpyridin-2-ol
CID 20362753
5-Chloro-4-methylpyridin-2-ol
CID 46739797
3-amino-5-chloro-4-methyl-2(1H)-Pyridinone
CID 119098684
2(1H)-Pyridinone, 4-(chlorodifluoromethyl)-
CID 13851614
5-Chloro-4-trifluoromethyl-pyridin-2-OL
CID 13851615
3,5-Dichloro-4-trifluoromethyl-pyridin-2-OL
CID 13851616
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
CID 19791179
3-fluoro-4-methylpyridin-2(1H)-one
CID 45116214
5-Fluoro-2-hydroxy-4-methylpyridine
CID 68205788
2-Hydroxy-3-chloro-4-methyl-5-trifluoromethylpyridine
CID 69883431
3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449841
5-chloro-3-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449844

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one (CID 150147770) is 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one is Cc1c(Cl)c[nH]c(=O)c1F.
What is the InChIKey of 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one?
The InChIKey is FEPQNBIOJQRJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c1-3-4(7)2-9-6(10)5(3)8/h2H,1H3,(H,9,10).
What are the key properties of 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one?
5-chloro-3-fluoro-4-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 5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 150147770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).