5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one

C13H13FN2O2 — CID 112606610

IUPAC5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cccc(F)c2O)ccc1=O
InChIInChI=1S/C13H13FN2O2/c1-16-8-10(5-6-12(16)17)15-7-9-3-2-4-11(14)13(9)18/h2-6,8,15,18H,7H2,1H3
InChIKeyCRKDLYFIQUCJQQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.84
Rot. Bonds3

About 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one

5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one (PubChem CID 112606610) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
PubChem CID112606610
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
SMILESCn1cc(NCc2cccc(F)c2O)ccc1=O
InChIInChI=1S/C13H13FN2O2/c1-16-8-10(5-6-12(16)17)15-7-9-3-2-4-11(14)13(9)18/h2-6,8,15,18H,7H2,1H3
InChIKeyCRKDLYFIQUCJQQ-UHFFFAOYSA-N
XLogP1.84
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-[(5-chloro-2-fluorophenyl)methylamino]-1-methylpyridin-2-one
CID 114842121
N-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]phenyl]propanamide
CID 115951328
5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one
CID 60931412
5-[(4-hydroxyphenyl)methylamino]-1-methylpyridin-2-one
CID 54866090
2-fluoro-6-[[4-(trifluoromethyl)anilino]methyl]phenol
CID 115950943
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
5-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyridin-2-one
CID 83088804
5-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]-1-methylpyridin-2-one
CID 60931968
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354
2-fluoro-6-[[4-(trifluoromethylsulfanyl)anilino]methyl]phenol
CID 115951327
2-chloro-5-[(3-fluoro-2-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 115951601
3,5-difluoro-4-[[(1-methyl-6-oxo-3-pyridinyl)amino]methyl]benzonitrile
CID 107038073

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one (CID 112606610) is 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one is Cn1cc(NCc2cccc(F)c2O)ccc1=O.
What is the InChIKey of 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one?
The InChIKey is CRKDLYFIQUCJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-16-8-10(5-6-12(16)17)15-7-9-3-2-4-11(14)13(9)18/h2-6,8,15,18H,7H2,1H3.
What are the key properties of 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one?
5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-2-hydroxyphenyl)methylamino]-1-methylpyridin-2-one is sourced from PubChem (CID 112606610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).