1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone

C19H15ClFN3O2 — CID 58318772

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone
SMILESCCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F
InChIInChI=1S/C19H15ClFN3O2/c1-2-18-17(21)4-3-14(24-18)8-19(25)12-5-13(20)7-15(6-12)26-16-9-22-11-23-10-16/h3-7,9-11H,2,8H2,1H3
InChIKeyVNXQFSVITUSOOI-UHFFFAOYSA-N
MW371.80 g/mol
LogP4.44
Rot. Bonds6

About 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone (PubChem CID 58318772) has the molecular formula C19H15ClFN3O2 and a molecular weight of 371.80 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone
PubChem CID58318772
Molecular FormulaC19H15ClFN3O2
Molecular Weight371.80 g/mol
Exact Mass371.08
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone
SMILESCCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F
InChIInChI=1S/C19H15ClFN3O2/c1-2-18-17(21)4-3-14(24-18)8-19(25)12-5-13(20)7-15(6-12)26-16-9-22-11-23-10-16/h3-7,9-11H,2,8H2,1H3
InChIKeyVNXQFSVITUSOOI-UHFFFAOYSA-N
XLogP4.44
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 54.44
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-ethyl-5-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone (CID 58318772) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone is CCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone?
The InChIKey is VNXQFSVITUSOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O2/c1-2-18-17(21)4-3-14(24-18)8-19(25)12-5-13(20)7-15(6-12)26-16-9-22-11-23-10-16/h3-7,9-11H,2,8H2,1H3.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-5-fluoro-2-pyridinyl)ethanone has a molecular weight of 371.80 g/mol, XLogP of 4.44, 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-ethyl-5-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 58318772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).