4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine

C17H14F3NOS — CID 23195777

IUPAC4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine
SMILESCC1(C)C=C(c2ccncc2)c2cc(SC(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NOS/c1-16(2)10-14(11-5-7-21-8-6-11)13-9-12(23-17(18,19)20)3-4-15(13)22-16/h3-10H,1-2H3
InChIKeyGIXKQEVXHNWAMX-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.30
Rot. Bonds2

About 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine

4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine (PubChem CID 23195777) has the molecular formula C17H14F3NOS and a molecular weight of 337.37 g/mol. Its IUPAC name is 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine.

Molecular Properties

Compound Name4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine
PubChem CID23195777
Molecular FormulaC17H14F3NOS
Molecular Weight337.37 g/mol
Exact Mass337.07
IUPAC Name4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine
SMILESCC1(C)C=C(c2ccncc2)c2cc(SC(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NOS/c1-16(2)10-14(11-5-7-21-8-6-11)13-9-12(23-17(18,19)20)3-4-15(13)22-16/h3-10H,1-2H3
InChIKeyGIXKQEVXHNWAMX-UHFFFAOYSA-N
XLogP5.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine 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 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine?
The IUPAC name of 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine (CID 23195777) is 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine.
What is the SMILES notation for 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine?
The canonical SMILES for 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine is CC1(C)C=C(c2ccncc2)c2cc(SC(F)(F)F)ccc2O1.
What is the InChIKey of 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine?
The InChIKey is GIXKQEVXHNWAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NOS/c1-16(2)10-14(11-5-7-21-8-6-11)13-9-12(23-17(18,19)20)3-4-15(13)22-16/h3-10H,1-2H3.
What are the key properties of 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine?
4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine has a molecular weight of 337.37 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine is sourced from PubChem (CID 23195777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).