1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone

C18H13ClFN3O2 — CID 58318742

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H13ClFN3O2/c19-13-4-12(5-16(6-13)25-17-9-21-11-22-10-17)18(24)7-14-2-1-3-15(8-20)23-14/h1-6,9-11H,7-8H2
InChIKeyNMKZDXMDOPUASM-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone (PubChem CID 58318742) has the molecular formula C18H13ClFN3O2 and a molecular weight of 357.77 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone
PubChem CID58318742
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1cccc(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H13ClFN3O2/c19-13-4-12(5-16(6-13)25-17-9-21-11-22-10-17)18(24)7-14-2-1-3-15(8-20)23-14/h1-6,9-11H,7-8H2
InChIKeyNMKZDXMDOPUASM-UHFFFAOYSA-N
XLogP4.21
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone (CID 58318742) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1cccc(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is NMKZDXMDOPUASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c19-13-4-12(5-16(6-13)25-17-9-21-11-22-10-17)18(24)7-14-2-1-3-15(8-20)23-14/h1-6,9-11H,7-8H2.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 357.77 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[6-(fluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58318742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).