6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one

C19H15FN2O3 — CID 11660092

IUPAC6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1cccc(CO)c1
InChIInChI=1S/C19H15FN2O3/c20-14-6-4-13(5-7-14)18(25)16-8-9-17(24)22(19(16)21)15-3-1-2-12(10-15)11-23/h1-10,23H,11,21H2
InChIKeyWGMMCTXEHRVWHQ-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.28
Rot. Bonds4

About 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one

6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one (PubChem CID 11660092) has the molecular formula C19H15FN2O3 and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one.

Molecular Properties

Compound Name6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one
PubChem CID11660092
Molecular FormulaC19H15FN2O3
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one
SMILESNc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1cccc(CO)c1
InChIInChI=1S/C19H15FN2O3/c20-14-6-4-13(5-7-14)18(25)16-8-9-17(24)22(19(16)21)15-3-1-2-12(10-15)11-23/h1-10,23H,11,21H2
InChIKeyWGMMCTXEHRVWHQ-UHFFFAOYSA-N
XLogP2.28
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one?
The IUPAC name of 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one (CID 11660092) is 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one.
What is the SMILES notation for 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one?
The canonical SMILES for 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one is Nc1c(C(=O)c2ccc(F)cc2)ccc(=O)n1-c1cccc(CO)c1.
What is the InChIKey of 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one?
The InChIKey is WGMMCTXEHRVWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3/c20-14-6-4-13(5-7-14)18(25)16-8-9-17(24)22(19(16)21)15-3-1-2-12(10-15)11-23/h1-10,23H,11,21H2.
What are the key properties of 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one?
6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one has a molecular weight of 338.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(4-fluorobenzoyl)-1-[3-(hydroxymethyl)phenyl]pyridin-2-one is sourced from PubChem (CID 11660092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).