3-tert-butylpyridine;3-tert-butylthiophene

C17H25NS — CID 159689171

IUPAC3-tert-butylpyridine;3-tert-butylthiophene
SMILESCC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1
InChIInChI=1S/C9H13N.C8H12S/c1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-5-9-6-7/h4-7H,1-3H3;4-6H,1-3H3
InChIKeyMWEOELZFOZMRTJ-UHFFFAOYSA-N
MW275.46 g/mol
LogP5.42
Rot. Bonds

About 3-tert-butylpyridine;3-tert-butylthiophene

3-tert-butylpyridine;3-tert-butylthiophene (PubChem CID 159689171) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is 3-tert-butylpyridine;3-tert-butylthiophene.

Molecular Properties

Compound Name3-tert-butylpyridine;3-tert-butylthiophene
PubChem CID159689171
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Name3-tert-butylpyridine;3-tert-butylthiophene
SMILESCC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1
InChIInChI=1S/C9H13N.C8H12S/c1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-5-9-6-7/h4-7H,1-3H3;4-6H,1-3H3
InChIKeyMWEOELZFOZMRTJ-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.46
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
CID 158198593
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2,3-dimethyl-3-thiophen-3-ylbutan-2-amine
CID 18719736
dichloro(pyridin-3-yl)methanamine
CID 139997720
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
3-[2-(disulfanyl)propan-2-yl]pyridine
CID 152951842
2-pyridin-3-yloctan-2-amine
CID 174517914
tripyridin-3-ylmethanol
CID 177395677
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
2-bromo-2-pyridin-3-ylpropanal
CID 174678560

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyridine;3-tert-butylthiophene?
The IUPAC name of 3-tert-butylpyridine;3-tert-butylthiophene (CID 159689171) is 3-tert-butylpyridine;3-tert-butylthiophene.
What is the SMILES notation for 3-tert-butylpyridine;3-tert-butylthiophene?
The canonical SMILES for 3-tert-butylpyridine;3-tert-butylthiophene is CC(C)(C)c1cccnc1.CC(C)(C)c1ccsc1.
What is the InChIKey of 3-tert-butylpyridine;3-tert-butylthiophene?
The InChIKey is MWEOELZFOZMRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H12S/c1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-4-5-9-6-7/h4-7H,1-3H3;4-6H,1-3H3.
What are the key properties of 3-tert-butylpyridine;3-tert-butylthiophene?
3-tert-butylpyridine;3-tert-butylthiophene has a molecular weight of 275.46 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyridine;3-tert-butylthiophene is sourced from PubChem (CID 159689171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).