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

C11H8ClFN2O — CID 122537383

IUPAC3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one
SMILESNc1c(Cl)[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H8ClFN2O/c12-11-9(14)10(16)8(5-15-11)6-1-3-7(13)4-2-6/h1-5H,14H2,(H,15,16)
InChIKeyRCTXWFRUYXNODC-UHFFFAOYSA-N
MW238.65 g/mol
LogP2.42
Rot. Bonds1

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

3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one (PubChem CID 122537383) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one
PubChem CID122537383
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one
SMILESNc1c(Cl)[nH]cc(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H8ClFN2O/c12-11-9(14)10(16)8(5-15-11)6-1-3-7(13)4-2-6/h1-5H,14H2,(H,15,16)
InChIKeyRCTXWFRUYXNODC-UHFFFAOYSA-N
XLogP2.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one?
The IUPAC name of 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one (CID 122537383) is 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one?
The canonical SMILES for 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one is Nc1c(Cl)[nH]cc(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one?
The InChIKey is RCTXWFRUYXNODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c12-11-9(14)10(16)8(5-15-11)6-1-3-7(13)4-2-6/h1-5H,14H2,(H,15,16).
What are the key properties of 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one?
3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one has a molecular weight of 238.65 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-chloro-5-(4-fluorophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 122537383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).