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

C18H13ClFN3O2 — CID 58318864

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
SMILESCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F
InChIInChI=1S/C18H13ClFN3O2/c1-11-17(20)3-2-14(23-11)7-18(24)12-4-13(19)6-15(5-12)25-16-8-21-10-22-9-16/h2-6,8-10H,7H2,1H3
InChIKeySTTWEUKFCZUFID-UHFFFAOYSA-N
MW357.77 g/mol
LogP4.19
Rot. Bonds5

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone (PubChem CID 58318864) 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-(5-fluoro-6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
PubChem CID58318864
Molecular FormulaC18H13ClFN3O2
Molecular Weight357.77 g/mol
Exact Mass357.07
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone
SMILESCc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F
InChIInChI=1S/C18H13ClFN3O2/c1-11-17(20)3-2-14(23-11)7-18(24)12-4-13(19)6-15(5-12)25-16-8-21-10-22-9-16/h2-6,8-10H,7H2,1H3
InChIKeySTTWEUKFCZUFID-UHFFFAOYSA-N
XLogP4.19
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.77
LogP ≤ 54.19
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-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone (CID 58318864) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone is Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
The InChIKey is STTWEUKFCZUFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O2/c1-11-17(20)3-2-14(23-11)7-18(24)12-4-13(19)6-15(5-12)25-16-8-21-10-22-9-16/h2-6,8-10H,7H2,1H3.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-6-methyl-2-pyridinyl)ethanone has a molecular weight of 357.77 g/mol, XLogP of 4.19, 5 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-(5-fluoro-6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 58318864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).