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

C18H12ClF2N3O2 — CID 58318884

IUPAC1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(F)c(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H12ClF2N3O2/c19-12-3-11(4-14(5-12)26-15-8-22-10-23-9-15)18(25)6-13-1-2-16(21)17(7-20)24-13/h1-5,8-10H,6-7H2
InChIKeyWTEDDVBTMJGCBC-UHFFFAOYSA-N
MW375.76 g/mol
LogP4.35
Rot. Bonds6

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone (PubChem CID 58318884) has the molecular formula C18H12ClF2N3O2 and a molecular weight of 375.76 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
PubChem CID58318884
Molecular FormulaC18H12ClF2N3O2
Molecular Weight375.76 g/mol
Exact Mass375.06
IUPAC Name1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone
SMILESO=C(Cc1ccc(F)c(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1
InChIInChI=1S/C18H12ClF2N3O2/c19-12-3-11(4-14(5-12)26-15-8-22-10-23-9-15)18(25)6-13-1-2-16(21)17(7-20)24-13/h1-5,8-10H,6-7H2
InChIKeyWTEDDVBTMJGCBC-UHFFFAOYSA-N
XLogP4.35
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.76
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318837
3-chloro-5-pyrimidin-5-yloxybenzoic acid
CID 67051407
1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-[6-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58318859
2-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-(3-chloro-5-pyrimidin-5-yloxyphenyl)ethanone
CID 58318789
1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
CID 123892434
2-(5-fluoro-6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349276
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-(6-fluoro-2-pyridinyl)ethanone
CID 147632074
1-(3-chloro-5-methoxyphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone
CID 68836656
1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448114
6-[2-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-oxoethyl]pyridine-3-carbonitrile
CID 161413591
1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)-2-[5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 149081483
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-ethyl-2-pyridinyl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[4-(1-fluoroethyl)-1,3-thiazol-2-yl]ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;3-[2-(4-fluoro-2-pyridinyl)acetyl]-5-pyrimidin-5-yloxybenzonitrile;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(4-methyl-1,3-oxazol-2-yl)ethanone
CID 159619945

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone (CID 58318884) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone is O=C(Cc1ccc(F)c(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1.
What is the InChIKey of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is WTEDDVBTMJGCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N3O2/c19-12-3-11(4-14(5-12)26-15-8-22-10-23-9-15)18(25)6-13-1-2-16(21)17(7-20)24-13/h1-5,8-10H,6-7H2.
What are the key properties of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone?
1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-[5-fluoro-6-(fluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 375.76 g/mol, XLogP of 4.35, 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-(fluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 58318884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).