1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone

C14H13FN2O — CID 83118886

IUPAC1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H13FN2O/c1-10(18)14-7-6-13(9-16-14)17(2)12-5-3-4-11(15)8-12/h3-9H,1-2H3
InChIKeyZOMDAARSCQCGCM-UHFFFAOYSA-N
MW244.27 g/mol
LogP3.19
Rot. Bonds3

About 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone

1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone (PubChem CID 83118886) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
PubChem CID83118886
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cccc(F)c2)cn1
InChIInChI=1S/C14H13FN2O/c1-10(18)14-7-6-13(9-16-14)17(2)12-5-3-4-11(15)8-12/h3-9H,1-2H3
InChIKeyZOMDAARSCQCGCM-UHFFFAOYSA-N
XLogP3.19
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(N-ethyl-3-fluoroanilino)-2-pyridinyl]ethanone
CID 83118884
1-[5-(N,3,5-trimethylanilino)-2-pyridinyl]ethanone
CID 83119952
1-[5-(dimethylamino)-2-pyridinyl]ethanone
CID 45086299
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanol
CID 83131802
(1S)-1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]propan-1-ol
CID 103938668
N-(2,4-difluorophenyl)-5-(N-methylanilino)pyridine-2-carboxamide
CID 109197711
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
CID 83122861
1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
CID 83120045
2-(3-fluorophenyl)-N-[5-(N-methylanilino)-2-pyridinyl]acetamide
CID 113031689
1-[5-(3-methoxy-N-methylanilino)-2-pyridinyl]propan-1-one
CID 115938973
5-[2-(3-fluorophenyl)ethynyl]-N,N-dimethylpyridine-2-carboxamide
CID 70789088
1-[5-(3,5-difluorophenoxy)-2-pyridinyl]ethanone
CID 83118767

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone (CID 83118886) is 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone is CC(=O)c1ccc(N(C)c2cccc(F)c2)cn1.
What is the InChIKey of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone?
The InChIKey is ZOMDAARSCQCGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-10(18)14-7-6-13(9-16-14)17(2)12-5-3-4-11(15)8-12/h3-9H,1-2H3.
What are the key properties of 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone?
1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone has a molecular weight of 244.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-N-methylanilino)-2-pyridinyl]ethanone is sourced from PubChem (CID 83118886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).