1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one

C12H10F2N2O2 — CID 69050321

IUPAC1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one
SMILESCOc1cccn(-c2cc(F)c(N)c(F)c2)c1=O
InChIInChI=1S/C12H10F2N2O2/c1-18-10-3-2-4-16(12(10)17)7-5-8(13)11(15)9(14)6-7/h2-6H,15H2,1H3
InChIKeyYQSKCMLHFLHAQI-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.71
Rot. Bonds2

About 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one

1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one (PubChem CID 69050321) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one
PubChem CID69050321
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one
SMILESCOc1cccn(-c2cc(F)c(N)c(F)c2)c1=O
InChIInChI=1S/C12H10F2N2O2/c1-18-10-3-2-4-16(12(10)17)7-5-8(13)11(15)9(14)6-7/h2-6H,15H2,1H3
InChIKeyYQSKCMLHFLHAQI-UHFFFAOYSA-N
XLogP1.71
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one?
The IUPAC name of 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one (CID 69050321) is 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one.
What is the SMILES notation for 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one?
The canonical SMILES for 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one is COc1cccn(-c2cc(F)c(N)c(F)c2)c1=O.
What is the InChIKey of 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one?
The InChIKey is YQSKCMLHFLHAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c1-18-10-3-2-4-16(12(10)17)7-5-8(13)11(15)9(14)6-7/h2-6H,15H2,1H3.
What are the key properties of 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one?
1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one has a molecular weight of 252.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one is sourced from PubChem (CID 69050321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).