6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine

C9H8F3NS — CID 15162614

IUPAC6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine
SMILESFC(F)(F)c1cnc2c(c1)CCCS2
InChIInChI=1S/C9H8F3NS/c10-9(11,12)7-4-6-2-1-3-14-8(6)13-5-7/h4-5H,1-3H2
InChIKeyZCMPJZUYQPYWBH-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.14
Rot. Bonds

About 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine

6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine (PubChem CID 15162614) has the molecular formula C9H8F3NS and a molecular weight of 219.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine
PubChem CID15162614
Molecular FormulaC9H8F3NS
Molecular Weight219.23 g/mol
Exact Mass219.03
IUPAC Name6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine
SMILESFC(F)(F)c1cnc2c(c1)CCCS2
InChIInChI=1S/C9H8F3NS/c10-9(11,12)7-4-6-2-1-3-14-8(6)13-5-7/h4-5H,1-3H2
InChIKeyZCMPJZUYQPYWBH-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine?
The IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine (CID 15162614) is 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine.
What is the SMILES notation for 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine?
The canonical SMILES for 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine is FC(F)(F)c1cnc2c(c1)CCCS2.
What is the InChIKey of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine?
The InChIKey is ZCMPJZUYQPYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NS/c10-9(11,12)7-4-6-2-1-3-14-8(6)13-5-7/h4-5H,1-3H2.
What are the key properties of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine?
6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine has a molecular weight of 219.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyrano[2,3-b]pyridine is sourced from PubChem (CID 15162614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).