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

C14H12ClFN2O — CID 146296416

IUPAC5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one
SMILESNc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1C1CC1
InChIInChI=1S/C14H12ClFN2O/c15-8-3-4-11(16)9(5-8)10-6-12(17)13(7-1-2-7)18-14(10)19/h3-7H,1-2,17H2,(H,18,19)
InChIKeyDKKYDKYBVDFXLB-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.29
Rot. Bonds2

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

5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one (PubChem CID 146296416) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one
PubChem CID146296416
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one
SMILESNc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1C1CC1
InChIInChI=1S/C14H12ClFN2O/c15-8-3-4-11(16)9(5-8)10-6-12(17)13(7-1-2-7)18-14(10)19/h3-7H,1-2,17H2,(H,18,19)
InChIKeyDKKYDKYBVDFXLB-UHFFFAOYSA-N
XLogP3.29
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.29
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-cyclopropyl-1H-pyridin-2-one?
The IUPAC name of 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one (CID 146296416) is 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one.
What is the SMILES notation for 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one?
The canonical SMILES for 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one is Nc1cc(-c2cc(Cl)ccc2F)c(=O)[nH]c1C1CC1.
What is the InChIKey of 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one?
The InChIKey is DKKYDKYBVDFXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c15-8-3-4-11(16)9(5-8)10-6-12(17)13(7-1-2-7)18-14(10)19/h3-7H,1-2,17H2,(H,18,19).
What are the key properties of 5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one?
5-amino-3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-1H-pyridin-2-one has a molecular weight of 278.71 g/mol, XLogP of 3.29, 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-cyclopropyl-1H-pyridin-2-one is sourced from PubChem (CID 146296416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).