5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one

C14H14ClFN2O — CID 146296394

IUPAC5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C14H14ClFN2O/c1-7(2)13-12(17)6-9(14(19)18-13)8-3-4-11(16)10(15)5-8/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyKKWUJGFIMKBUGD-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.54
Rot. Bonds2

About 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one

5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 146296394) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
PubChem CID146296394
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1N
InChIInChI=1S/C14H14ClFN2O/c1-7(2)13-12(17)6-9(14(19)18-13)8-3-4-11(16)10(15)5-8/h3-7H,17H2,1-2H3,(H,18,19)
InChIKeyKKWUJGFIMKBUGD-UHFFFAOYSA-N
XLogP3.54
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one (CID 146296394) is 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1[nH]c(=O)c(-c2ccc(F)c(Cl)c2)cc1N.
What is the InChIKey of 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is KKWUJGFIMKBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-7(2)13-12(17)6-9(14(19)18-13)8-3-4-11(16)10(15)5-8/h3-7H,17H2,1-2H3,(H,18,19).
What are the key properties of 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one?
5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 280.73 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-chloro-4-fluorophenyl)-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 146296394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).