1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone

C17H12FN3O — CID 159699791

IUPAC1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccn2)nc1)c1ccc(F)cn1
InChIInChI=1S/C17H12FN3O/c18-13-5-7-16(21-11-13)17(22)9-12-4-6-15(20-10-12)14-3-1-2-8-19-14/h1-8,10-11H,9H2
InChIKeyMXLXQBWHJSXXQC-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.10
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone

1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone (PubChem CID 159699791) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone
PubChem CID159699791
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone
SMILESO=C(Cc1ccc(-c2ccccn2)nc1)c1ccc(F)cn1
InChIInChI=1S/C17H12FN3O/c18-13-5-7-16(21-11-13)17(22)9-12-4-6-15(20-10-12)14-3-1-2-8-19-14/h1-8,10-11H,9H2
InChIKeyMXLXQBWHJSXXQC-UHFFFAOYSA-N
XLogP3.10
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
Di-2-pyridylethanedione
CID 68115
Bupicomide
CID 31447
1-(2,7-Naphthyridin-3-yl)ethanone
CID 155795
2-Pyridyl(2-quinolyl)methanone
CID 2817968
7-Amino-2-(pyridin-2-yl)quinoline-5,8-dione
CID 21771691
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Bis(2-pyridyl) ketone
CID 88065
Piberaline
CID 65975
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
1-Phenyl-3-(pyridin-2-yl)propane-1,3-dione
CID 238448

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone (CID 159699791) is 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone is O=C(Cc1ccc(-c2ccccn2)nc1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone?
The InChIKey is MXLXQBWHJSXXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-13-5-7-16(21-11-13)17(22)9-12-4-6-15(20-10-12)14-3-1-2-8-19-14/h1-8,10-11H,9H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone?
1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone has a molecular weight of 293.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-(6-pyridin-2-yl-3-pyridinyl)ethanone is sourced from PubChem (CID 159699791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).