5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine

C14H9ClF3N3OS — CID 150934992

IUPAC5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine
SMILESCC(Sc1nccc(Cl)n1)c1cc2c(C(F)(F)F)coc2cn1
InChIInChI=1S/C14H9ClF3N3OS/c1-7(23-13-19-3-2-12(15)21-13)10-4-8-9(14(16,17)18)6-22-11(8)5-20-10/h2-7H,1H3
InChIKeyLGVJMZAQHGYAJQ-UHFFFAOYSA-N
MW359.76 g/mol
LogP5.14
Rot. Bonds3

About 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine

5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine (PubChem CID 150934992) has the molecular formula C14H9ClF3N3OS and a molecular weight of 359.76 g/mol. Its IUPAC name is 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine
PubChem CID150934992
Molecular FormulaC14H9ClF3N3OS
Molecular Weight359.76 g/mol
Exact Mass359.01
IUPAC Name5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine
SMILESCC(Sc1nccc(Cl)n1)c1cc2c(C(F)(F)F)coc2cn1
InChIInChI=1S/C14H9ClF3N3OS/c1-7(23-13-19-3-2-12(15)21-13)10-4-8-9(14(16,17)18)6-22-11(8)5-20-10/h2-7H,1H3
InChIKeyLGVJMZAQHGYAJQ-UHFFFAOYSA-N
XLogP5.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.76
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine?
The IUPAC name of 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine (CID 150934992) is 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine.
What is the SMILES notation for 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine?
The canonical SMILES for 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine is CC(Sc1nccc(Cl)n1)c1cc2c(C(F)(F)F)coc2cn1.
What is the InChIKey of 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine?
The InChIKey is LGVJMZAQHGYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3OS/c1-7(23-13-19-3-2-12(15)21-13)10-4-8-9(14(16,17)18)6-22-11(8)5-20-10/h2-7H,1H3.
What are the key properties of 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine?
5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine has a molecular weight of 359.76 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine is sourced from PubChem (CID 150934992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).