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

C17H11ClFN3O2 — CID 58318803

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1ncccc1F)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H11ClFN3O2/c18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14/h1-6,8-10H,7H2
InChIKeyUBJKPVXKKXSSFQ-UHFFFAOYSA-N
MW343.75 g/mol
LogP3.88
Rot. Bonds5

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone (PubChem CID 58318803) has the molecular formula C17H11ClFN3O2 and a molecular weight of 343.75 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone
PubChem CID58318803
Molecular FormulaC17H11ClFN3O2
Molecular Weight343.75 g/mol
Exact Mass343.05
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone
SMILESO=C(Cc1ncccc1F)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C17H11ClFN3O2/c18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14/h1-6,8-10H,7H2
InChIKeyUBJKPVXKKXSSFQ-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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Related Compounds

3-chloro-N-(4-fluoropyridin-2-yl)-5-(pyrimidin-5-yloxy)benzamide
CID 67236730
3-chloro-N-(6-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936689
3-chloro-N-[6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936691
3-chloro-N-(6-methoxy-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936716
3-chloro-N-(6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936726
3-chloro-N-(5-fluoro-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936777
3-chloro-N-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]-5-pyrimidin-5-yloxybenzamide
CID 69936790
3-chloro-N-[6-(difluoromethyl)-5-fluoropyridin-2-yl]-5-pyrimidin-5-yloxybenzamide
CID 69936808
N-[6-(difluoromethyl)pyridin-2-yl]-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936867
N-(4-chloro-2-pyridinyl)-3-fluoro-5-pyrimidin-5-yloxybenzamide
CID 69936872
3-chloro-N-(4-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936906
3-chloro-N-(5-fluoro-6-methyl-2-pyridinyl)-5-pyrimidin-5-yloxybenzamide
CID 69936909

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone (CID 58318803) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone is O=C(Cc1ncccc1F)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone?
The InChIKey is UBJKPVXKKXSSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O2/c18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14/h1-6,8-10H,7H2.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)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 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(3-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 58318803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).