2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C19H15FN2O2 — CID 58349257

IUPAC2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)cc1F
InChIInChI=1S/C19H15FN2O2/c1-13-4-5-14(9-17(13)20)10-19(23)18-11-15(6-8-22-18)24-16-3-2-7-21-12-16/h2-9,11-12H,10H2,1H3
InChIKeyXKFKXFHKCGVLGI-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.14
Rot. Bonds5

About 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 58349257) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID58349257
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)cc1F
InChIInChI=1S/C19H15FN2O2/c1-13-4-5-14(9-17(13)20)10-19(23)18-11-15(6-8-22-18)24-16-3-2-7-21-12-16/h2-9,11-12H,10H2,1H3
InChIKeyXKFKXFHKCGVLGI-UHFFFAOYSA-N
XLogP4.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
4-[4-(4-Fluorophenyl)-1,3-oxazol-5-yl]pyridine
CID 16638995
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(4-methoxyphenyl)heptane
CID 16735383
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(2-methoxyphenyl)heptane
CID 16736927
1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
5H-Pyrido(3,2-a)phenoxazin-5-one
CID 10106046
4-[4-(4-Fluoro-phenyl)-2-(1-methyl-piperidin-4-yl)-oxazol-5-yl]-pyridine
CID 44399530
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
3,4-Dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
CID 3242485
4-[4-(4-Fluoro-phenyl)-5-pyridin-4-yl-oxazol-2-yl]-1-methyl-piperidin-4-ol
CID 9819930
2-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)furo[3,2-b]pyridine
CID 10823129

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 58349257) is 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is XKFKXFHKCGVLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c1-13-4-5-14(9-17(13)20)10-19(23)18-11-15(6-8-22-18)24-16-3-2-7-21-12-16/h2-9,11-12H,10H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 322.34 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 58349257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).