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

C17H14F3NO3S — CID 23195825

IUPAC4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine
SMILESCC1(C)C=C(c2ccncc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NO3S/c1-16(2)10-14(11-5-7-21-8-6-11)13-9-12(3-4-15(13)24-16)25(22,23)17(18,19)20/h3-10H,1-2H3
InChIKeyKRYCCFXLUDKZBH-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.98
Rot. Bonds2

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

4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine (PubChem CID 23195825) has the molecular formula C17H14F3NO3S and a molecular weight of 369.36 g/mol. Its IUPAC name is 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine.

Molecular Properties

Compound Name4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine
PubChem CID23195825
Molecular FormulaC17H14F3NO3S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine
SMILESCC1(C)C=C(c2ccncc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NO3S/c1-16(2)10-14(11-5-7-21-8-6-11)13-9-12(3-4-15(13)24-16)25(22,23)17(18,19)20/h3-10H,1-2H3
InChIKeyKRYCCFXLUDKZBH-UHFFFAOYSA-N
XLogP3.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
The IUPAC name of 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine (CID 23195825) is 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine.
What is the SMILES notation for 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
The canonical SMILES for 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine is CC1(C)C=C(c2ccncc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1.
What is the InChIKey of 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
The InChIKey is KRYCCFXLUDKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3S/c1-16(2)10-14(11-5-7-21-8-6-11)13-9-12(3-4-15(13)24-16)25(22,23)17(18,19)20/h3-10H,1-2H3.
What are the key properties of 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine has a molecular weight of 369.36 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine is sourced from PubChem (CID 23195825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).