5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one

C13H12ClFN2O — CID 146296514

IUPAC5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1N
InChIInChI=1S/C13H12ClFN2O/c1-2-12-11(16)6-9(13(18)17-12)8-5-7(14)3-4-10(8)15/h3-6H,2,16H2,1H3,(H,17,18)
InChIKeyMNKYENWKQONZMY-UHFFFAOYSA-N
MW266.70 g/mol
LogP2.98
Rot. Bonds2

About 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one

5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one (PubChem CID 146296514) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one
PubChem CID146296514
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1N
InChIInChI=1S/C13H12ClFN2O/c1-2-12-11(16)6-9(13(18)17-12)8-5-7(14)3-4-10(8)15/h3-6H,2,16H2,1H3,(H,17,18)
InChIKeyMNKYENWKQONZMY-UHFFFAOYSA-N
XLogP2.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one (CID 146296514) is 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one is CCc1[nH]c(=O)c(-c2cc(Cl)ccc2F)cc1N.
What is the InChIKey of 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one?
The InChIKey is MNKYENWKQONZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-2-12-11(16)6-9(13(18)17-12)8-5-7(14)3-4-10(8)15/h3-6H,2,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one?
5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one has a molecular weight of 266.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(5-chloro-2-fluorophenyl)-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 146296514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).