3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one

C13H13FN2O2 — CID 139337965

IUPAC3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one
SMILESCOc1cccc(F)c1-n1c(C)ccc(N)c1=O
InChIInChI=1S/C13H13FN2O2/c1-8-6-7-10(15)13(17)16(8)12-9(14)4-3-5-11(12)18-2/h3-7H,15H2,1-2H3
InChIKeyVDDCTPWWNBWRRD-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.88
Rot. Bonds2

About 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one

3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one (PubChem CID 139337965) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one
PubChem CID139337965
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one
SMILESCOc1cccc(F)c1-n1c(C)ccc(N)c1=O
InChIInChI=1S/C13H13FN2O2/c1-8-6-7-10(15)13(17)16(8)12-9(14)4-3-5-11(12)18-2/h3-7H,15H2,1-2H3
InChIKeyVDDCTPWWNBWRRD-UHFFFAOYSA-N
XLogP1.88
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)-6-methyl-2-oxopyridine-3-carboxylic acid
CID 139337963
2-(2,5-dimethylpyrrol-1-yl)-3-fluoroaniline
CID 81312484
1-(2-fluoro-6-methoxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168702370
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
CID 166609101
methyl 1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 168693531
[1-(2-fluoro-6-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673174
7-(2-fluoro-6-methoxyphenyl)-6-(trifluoromethyl)-3H-pyrido[3,4-d]pyrimidine-4,8-dione
CID 139338181
3-bromo-4-hydroxy-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 54724185
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
1-(4-amino-3,5-difluorophenyl)-3-methoxypyridin-2-one
CID 69050321

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one?
The IUPAC name of 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one (CID 139337965) is 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one.
What is the SMILES notation for 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one?
The canonical SMILES for 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one is COc1cccc(F)c1-n1c(C)ccc(N)c1=O.
What is the InChIKey of 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one?
The InChIKey is VDDCTPWWNBWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-6-7-10(15)13(17)16(8)12-9(14)4-3-5-11(12)18-2/h3-7H,15H2,1-2H3.
What are the key properties of 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one?
3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one has a molecular weight of 248.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-fluoro-6-methoxyphenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 139337965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).