3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine

C17H14F3NO3S — CID 23195775

IUPAC3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine
SMILESCC1(C)C=C(c2cccnc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NO3S/c1-16(2)9-14(11-4-3-7-21-10-11)13-8-12(5-6-15(13)24-16)25(22,23)17(18,19)20/h3-10H,1-2H3
InChIKeyLYJBENXVOCJRRD-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.98
Rot. Bonds2

About 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine

3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine (PubChem CID 23195775) has the molecular formula C17H14F3NO3S and a molecular weight of 369.36 g/mol. Its IUPAC name is 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine.

Molecular Properties

Compound Name3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine
PubChem CID23195775
Molecular FormulaC17H14F3NO3S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine
SMILESCC1(C)C=C(c2cccnc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1
InChIInChI=1S/C17H14F3NO3S/c1-16(2)9-14(11-4-3-7-21-10-11)13-8-12(5-6-15(13)24-16)25(22,23)17(18,19)20/h3-10H,1-2H3
InChIKeyLYJBENXVOCJRRD-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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Related Compounds

3-(2,2-dimethyl-6-nitrochromen-4-yl)pyridine
CID 18987732
3-[6-(benzenesulfonyl)-2-(dimethoxymethyl)-2-methylchromen-4-yl]pyridine
CID 18987725
1-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]piperidin-2-one
CID 19905356
4-[2,2-dimethyl-6-(trifluoromethylsulfanyl)chromen-4-yl]pyridine
CID 23195777
(2,2-dimethyl-4-phenylchromen-7-yl) trifluoromethanesulfonate
CID 59443090
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
CID 58406678
3-(9,9,10,10-tetramethyl-3,6,7-tripyridin-3-ylanthracen-2-yl)pyridine
CID 59649089
N,N-diethyl-4-(6-pyridin-3-ylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 59674299
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
CID 22745739
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
2,6-difluoro-N-[4-(2,2,6-trimethylchromen-4-yl)phenyl]benzamide
CID 87056899
N-[3-(6-benzoyl-2,2-dimethylchromen-4-yl)phenyl]acetamide
CID 10572896

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
The IUPAC name of 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine (CID 23195775) is 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine.
What is the SMILES notation for 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
The canonical SMILES for 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine is CC1(C)C=C(c2cccnc2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1.
What is the InChIKey of 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
The InChIKey is LYJBENXVOCJRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3S/c1-16(2)9-14(11-4-3-7-21-10-11)13-8-12(5-6-15(13)24-16)25(22,23)17(18,19)20/h3-10H,1-2H3.
What are the key properties of 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine?
3-[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 3-[2,2-dimethyl-6-(trifluoromethylsulfonyl)chromen-4-yl]pyridine is sourced from PubChem (CID 23195775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).