2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol

C17H16F3NO2S — CID 23195810

IUPAC2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol
SMILESCC1(C)CC(O)(c2ccccn2)c2cc(SC(F)(F)F)ccc2O1
InChIInChI=1S/C17H16F3NO2S/c1-15(2)10-16(22,14-5-3-4-8-21-14)12-9-11(24-17(18,19)20)6-7-13(12)23-15/h3-9,22H,10H2,1-2H3
InChIKeyBJRCSNMZKCHSGU-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.49
Rot. Bonds2

About 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol

2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol (PubChem CID 23195810) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol
PubChem CID23195810
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol
SMILESCC1(C)CC(O)(c2ccccn2)c2cc(SC(F)(F)F)ccc2O1
InChIInChI=1S/C17H16F3NO2S/c1-15(2)10-16(22,14-5-3-4-8-21-14)12-9-11(24-17(18,19)20)6-7-13(12)23-15/h3-9,22H,10H2,1-2H3
InChIKeyBJRCSNMZKCHSGU-UHFFFAOYSA-N
XLogP4.49
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol?
The IUPAC name of 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol (CID 23195810) is 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol.
What is the SMILES notation for 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol?
The canonical SMILES for 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol is CC1(C)CC(O)(c2ccccn2)c2cc(SC(F)(F)F)ccc2O1.
What is the InChIKey of 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol?
The InChIKey is BJRCSNMZKCHSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-15(2)10-16(22,14-5-3-4-8-21-14)12-9-11(24-17(18,19)20)6-7-13(12)23-15/h3-9,22H,10H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol?
2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol has a molecular weight of 355.38 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-pyridin-2-yl-6-(trifluoromethylsulfanyl)-3H-chromen-4-ol is sourced from PubChem (CID 23195810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).