2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone

C16H15F2NO2 — CID 115794720

IUPAC2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
SMILESCC(C)Oc1cncc(C(=O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C16H15F2NO2/c1-10(2)21-13-6-12(8-19-9-13)15(20)7-11-4-3-5-14(17)16(11)18/h3-6,8-10H,7H2,1-2H3
InChIKeyVLGZCPVYJNTIDS-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.57
Rot. Bonds5

About 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone

2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone (PubChem CID 115794720) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
PubChem CID115794720
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone
SMILESCC(C)Oc1cncc(C(=O)Cc2cccc(F)c2F)c1
InChIInChI=1S/C16H15F2NO2/c1-10(2)21-13-6-12(8-19-9-13)15(20)7-11-4-3-5-14(17)16(11)18/h3-6,8-10H,7H2,1-2H3
InChIKeyVLGZCPVYJNTIDS-UHFFFAOYSA-N
XLogP3.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634
7-amino-1-(5-propan-2-yloxy-3-pyridinyl)heptan-1-one
CID 116551477
4-phenyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 105124809
(5-fluoro-3-pyridinyl)-(3-propan-2-yloxyphenyl)methanone
CID 114963628
4-amino-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116594885
(3-fluoro-4-methoxyphenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794555
1-(5-propan-2-yloxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105124806
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
1-(5-propan-2-yloxy-3-pyridinyl)prop-2-en-1-one
CID 103453607
1-(5-propan-2-yloxy-3-pyridinyl)-2-propylpentan-1-one
CID 115794638
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-5-ylethanone
CID 102923229
2-amino-2-ethyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-one
CID 116592678

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone (CID 115794720) is 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone is CC(C)Oc1cncc(C(=O)Cc2cccc(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
The InChIKey is VLGZCPVYJNTIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-10(2)21-13-6-12(8-19-9-13)15(20)7-11-4-3-5-14(17)16(11)18/h3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone?
2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone has a molecular weight of 291.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-(5-propan-2-yloxy-3-pyridinyl)ethanone is sourced from PubChem (CID 115794720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).