2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C17H11ClFN3O2 — CID 58318880

IUPAC2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccn1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H11ClFN3O2/c18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16/h1-6,8-10H,7H2
InChIKeyMIRAEJZBFMXBOZ-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.88
Rot. Bonds5

About 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 58318880) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
PubChem CID58318880
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
SMILESO=C(Cc1cc(Cl)ccn1)c1cc(F)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H11ClFN3O2/c18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16/h1-6,8-10H,7H2
InChIKeyMIRAEJZBFMXBOZ-UHFFFAOYSA-N
XLogP3.88
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The IUPAC name of 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 58318880) is 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The canonical SMILES for 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is O=C(Cc1cc(Cl)ccn1)c1cc(F)cc(Oc2cncnc2)c1.
What is the InChIKey of 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
The InChIKey is MIRAEJZBFMXBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16/h1-6,8-10H,7H2.
What are the key properties of 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?
2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 343.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 58318880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).