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

C19H14ClF2N3O2 — CID 58318728

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone
SMILESCC(F)c1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F
InChIInChI=1S/C19H14ClF2N3O2/c1-11(21)19-17(22)3-2-14(25-19)7-18(26)12-4-13(20)6-15(5-12)27-16-8-23-10-24-9-16/h2-6,8-11H,7H2,1H3
InChIKeyGAQZNFDWGZFDEU-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.91
Rot. Bonds6

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone (PubChem CID 58318728) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone
PubChem CID58318728
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone
SMILESCC(F)c1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F
InChIInChI=1S/C19H14ClF2N3O2/c1-11(21)19-17(22)3-2-14(25-19)7-18(26)12-4-13(20)6-15(5-12)27-16-8-23-10-24-9-16/h2-6,8-11H,7H2,1H3
InChIKeyGAQZNFDWGZFDEU-UHFFFAOYSA-N
XLogP4.91
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.91
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-(1-fluoroethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone (CID 58318728) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone is CC(F)c1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)ccc1F.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone?
The InChIKey is GAQZNFDWGZFDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-11(21)19-17(22)3-2-14(25-19)7-18(26)12-4-13(20)6-15(5-12)27-16-8-23-10-24-9-16/h2-6,8-11H,7H2,1H3.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone has a molecular weight of 389.79 g/mol, XLogP of 4.91, 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-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58318728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).