7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole

C16H13ClF3N3O — CID 163275949

IUPAC7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole
SMILESFC(F)(F)CCCn1ccc2cccc(Oc3ncc(Cl)cn3)c21
InChIInChI=1S/C16H13ClF3N3O/c17-12-9-21-15(22-10-12)24-13-4-1-3-11-5-8-23(14(11)13)7-2-6-16(18,19)20/h1,3-5,8-10H,2,6-7H2
InChIKeyGNPOKKOKSKKLMY-UHFFFAOYSA-N
MW355.75 g/mol
LogP5.22
Rot. Bonds5

About 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole

7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole (PubChem CID 163275949) has the molecular formula C16H13ClF3N3O and a molecular weight of 355.75 g/mol. Its IUPAC name is 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole.

Molecular Properties

Compound Name7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole
PubChem CID163275949
Molecular FormulaC16H13ClF3N3O
Molecular Weight355.75 g/mol
Exact Mass355.07
IUPAC Name7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole
SMILESFC(F)(F)CCCn1ccc2cccc(Oc3ncc(Cl)cn3)c21
InChIInChI=1S/C16H13ClF3N3O/c17-12-9-21-15(22-10-12)24-13-4-1-3-11-5-8-23(14(11)13)7-2-6-16(18,19)20/h1,3-5,8-10H,2,6-7H2
InChIKeyGNPOKKOKSKKLMY-UHFFFAOYSA-N
XLogP5.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.75
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole?
The IUPAC name of 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole (CID 163275949) is 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole.
What is the SMILES notation for 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole?
The canonical SMILES for 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole is FC(F)(F)CCCn1ccc2cccc(Oc3ncc(Cl)cn3)c21.
What is the InChIKey of 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole?
The InChIKey is GNPOKKOKSKKLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O/c17-12-9-21-15(22-10-12)24-13-4-1-3-11-5-8-23(14(11)13)7-2-6-16(18,19)20/h1,3-5,8-10H,2,6-7H2.
What are the key properties of 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole?
7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole has a molecular weight of 355.75 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloropyrimidin-2-yl)oxy-1-(4,4,4-trifluorobutyl)indole is sourced from PubChem (CID 163275949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).