3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine

C61H89F3N6O5S — CID 160656933

IUPAC3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cncc(CS(C)(=O)=O)c1.COc1ccc(C(C)(C)C)cn1.COc1cncc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)ccc1=O
InChIInChI=1S/C11H17NO2S.C10H12F3N.3C10H15NO.C10H15N/c1-11(2,3)10-5-9(6-12-7-10)8-15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4/h5-7H,8H2,1-4H3;4-6H,1-3H3;3*5-7H,1-4H3;5-7H,1-4H3
InChIKeyRLECENKOMMQRLT-UHFFFAOYSA-N
MW1075.48 g/mol
LogP14.47
Rot. Bonds4

About 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine

3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine (PubChem CID 160656933) has the molecular formula C61H89F3N6O5S and a molecular weight of 1075.48 g/mol. Its IUPAC name is 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
PubChem CID160656933
Molecular FormulaC61H89F3N6O5S
Molecular Weight1075.48 g/mol
Exact Mass1074.66
IUPAC Name3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cncc(CS(C)(=O)=O)c1.COc1ccc(C(C)(C)C)cn1.COc1cncc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)ccc1=O
InChIInChI=1S/C11H17NO2S.C10H12F3N.3C10H15NO.C10H15N/c1-11(2,3)10-5-9(6-12-7-10)8-15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4/h5-7H,8H2,1-4H3;4-6H,1-3H3;3*5-7H,1-4H3;5-7H,1-4H3
InChIKeyRLECENKOMMQRLT-UHFFFAOYSA-N
XLogP14.47
TPSA139.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001075.48
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3-Tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyrimidin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 157974786
3-Tert-butyl-5-(difluoromethoxy)pyridine;5-tert-butyl-2-(difluoromethoxy)pyridine;5-tert-butyl-2-(difluoromethyl)pyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxy-3-(trifluoromethyl)pyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;3-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 158809767
2,2-Dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;3-(2,2-dimethylpropyl)-5-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;tetrakis(3-(2,2-dimethylpropyl)-5-methylpyridine);tris(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine
CID 159610470
3-Tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 160817936
6-[2-[4-(5-Methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]pyridine-3-carbonitrile;[6-[2-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-yl]-3-pyridinyl] trifluoromethanesulfonate
CID 161314010
3-Tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butylpyrimidine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 161915553
2,2-Dimethylpropylbenzene;3-(2,2-dimethylpropyl)-5-(1-fluoroethyl)pyridine;3-(2,2-dimethylpropyl)-2-fluoropyridine;5-(2,2-dimethylpropyl)-2-fluoropyridine;2-(2,2-dimethylpropyl)-6-methoxypyridine;3-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-5-methoxypyridine;5-(2,2-dimethylpropyl)-2-methoxypyridine;3-(2,2-dimethylpropyl)-2-methylpyridine;3-(2,2-dimethylpropyl)-4-methylpyridine;pentakis(3-(2,2-dimethylpropyl)-5-methylpyridine);bis(5-(2,2-dimethylpropyl)-2-methylpyridine);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyridine;methane
CID 161949891
3-Tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;methane
CID 162252296
5-Tert-butyl-2-(difluoromethoxy)pyridine;5-tert-butyl-2-(difluoromethyl)pyridine;3-tert-butyl-5-(1-fluoroethoxy)pyridine;3-tert-butyl-5-fluoropyridine;5-tert-butyl-2-methoxy-3-methylpyridine;4-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methoxy-3-(trifluoromethyl)pyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;3-tert-butylpyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 167662723
tert-butylbenzene;4-tert-butylbenzonitrile;1-tert-butyl-4-fluorobenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-3-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylidene-1H-pyrazine;5-tert-butyl-2-methylidene-1H-pyridine;tris(2-tert-butyl-5-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-1-methylpyridin-2-one;2-tert-butyl-5-(methylsulfonylmethyl)pyridine;3-tert-butylpyridine;4-tert-butyl-1H-pyridin-2-one;methane
CID 157105377
5-tert-butyl-1-methyl-3-propan-2-ylpyridin-2-one;3,5-ditert-butyl-2-methoxy-1,2-dihydropyridine;2,4-ditert-butyl-5-methoxypyridine;4,6-ditert-butyl-3-methoxypyridine-2-carbonitrile;3,5-ditert-butyl-2-methylpyridine;2,4-ditert-butyl-5-methylsulfinylpyridine;3,5-ditert-butyl-1H-pyridin-2-one
CID 158553442
3-Fluoro-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;3-fluoro-4-methyl-2-propan-2-ylpyridine;methane;3-methoxy-6-methyl-2-propan-2-ylpyridine;4-methoxy-3-propan-2-ylpyridine;3-methoxysulfanyl-1-methylidene-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylperoxysulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;1-methylidene-3-methylsulfanyl-2-propan-2-ylpyridin-1-ium-2-ide;2-methyl-6-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-ylpyridine
CID 161013173

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine (CID 160656933) is 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1cncc(CS(C)(=O)=O)c1.COc1ccc(C(C)(C)C)cn1.COc1cncc(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)cn1.Cn1cc(C(C)(C)C)ccc1=O.
What is the InChIKey of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
The InChIKey is RLECENKOMMQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S.C10H12F3N.3C10H15NO.C10H15N/c1-11(2,3)10-5-9(6-12-7-10)8-15(4,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)8-5-9(12-4)7-11-6-8;1-10(2,3)8-5-6-9(12-4)11-7-8;1-10(2,3)8-5-6-9(12)11(4)7-8;1-8-5-6-9(7-11-8)10(2,3)4/h5-7H,8H2,1-4H3;4-6H,1-3H3;3*5-7H,1-4H3;5-7H,1-4H3.
What are the key properties of 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine?
3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine has a molecular weight of 1075.48 g/mol, XLogP of 14.47, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methoxypyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-1-methylpyridin-2-one;3-tert-butyl-5-(methylsulfonylmethyl)pyridine;5-tert-butyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 160656933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).