2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C18H11F4N3O2 — CID 58318869

IUPAC2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)c(C(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11F4N3O2/c19-11-3-10(4-13(5-11)27-14-7-23-9-24-8-14)16(26)6-12-1-2-15(20)17(25-12)18(21)22/h1-5,7-9,18H,6H2
InChIKeyKDLOLYXYFQDRAI-UHFFFAOYSA-N
MW377.30 g/mol
LogP4.31
Rot. Bonds6

About 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 58318869) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
PubChem CID58318869
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC Name2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESO=C(Cc1ccc(F)c(C(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H11F4N3O2/c19-11-3-10(4-13(5-11)27-14-7-23-9-24-8-14)16(26)6-12-1-2-15(20)17(25-12)18(21)22/h1-5,7-9,18H,6H2
InChIKeyKDLOLYXYFQDRAI-UHFFFAOYSA-N
XLogP4.31
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-pyridin-3-yloxybenzamide
CID 51033560
1-[(2,4-Difluorophenyl)methyl]-6-[[2-(trifluoromethyl)-3-pyridyl]oxy]quinazolin-4-one
CID 58439561
3-fluoro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936731
3-fluoro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936736
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-fluoro-5-pyrimidin-5-yloxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 69936803
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
3-fluoro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936858
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
3-fluoro-N-pyridin-2-yl-5-pyrimidin-5-yloxybenzamide
CID 69936868
N-(4-chloro-2-pyridinyl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936872
3-chloro-N-(5-fluoro-6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936909

Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The IUPAC name of 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 58318869) is 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The canonical SMILES for 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is O=C(Cc1ccc(F)c(C(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1.
What is the InChIKey of 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The InChIKey is KDLOLYXYFQDRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-11-3-10(4-13(5-11)27-14-7-23-9-24-8-14)16(26)6-12-1-2-15(20)17(25-12)18(21)22/h1-5,7-9,18H,6H2.
What are the key properties of 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 377.30 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 58318869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).