3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)

C12H25NV3-2 — CID 158198593

IUPAC3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
SMILESCC.CC(C)(C)c1cccnc1.[3H-].[3H-].[3H]C.[V].[V].[V]
InChIInChI=1S/C9H13N.C2H6.CH4.3V.2H/c1-9(2,3)8-5-4-6-10-7-8;1-2;;;;;;/h4-7H,1-3H3;1-2H3;1H4;;;;;/q;;;;;;2*-1/i;;1T;;;;2*1+2
InChIKeySONIHDBLASDSCR-JFNFLINUSA-N
MW342.20 g/mol
LogP4.26
Rot. Bonds

About 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)

3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium) (PubChem CID 158198593) has the molecular formula C12H25NV3-2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium).

Molecular Properties

Compound Name3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
PubChem CID158198593
Molecular FormulaC12H25NV3-2
Molecular Weight342.20 g/mol
Exact Mass342.06
IUPAC Name3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)
SMILESCC.CC(C)(C)c1cccnc1.[3H-].[3H-].[3H]C.[V].[V].[V]
InChIInChI=1S/C9H13N.C2H6.CH4.3V.2H/c1-9(2,3)8-5-4-6-10-7-8;1-2;;;;;;/h4-7H,1-3H3;1-2H3;1H4;;;;;/q;;;;;;2*-1/i;;1T;;;;2*1+2
InChIKeySONIHDBLASDSCR-JFNFLINUSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 159178121
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3-methyl-2-pyridin-3-ylbutan-2-ol
CID 58641587
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
3-[2-(disulfanyl)propan-2-yl]pyridine
CID 152951842
tripyridin-3-ylmethanol
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(2R)-1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 7053126
2,4-dimethyl-4-pyridin-3-ylpentan-2-ol
CID 145044151
2-bromo-2-pyridin-3-ylpropanal
CID 174678560
1,1,1-trifluoro-2-pyridin-3-ylpropan-2-ol
CID 2748409
(2S)-2-pyridin-3-ylbutan-2-amine
CID 93358668
2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;tris(2,2-dimethylpropane)
CID 159293267

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)?
The IUPAC name of 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium) (CID 158198593) is 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium).
What is the SMILES notation for 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)?
The canonical SMILES for 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium) is CC.CC(C)(C)c1cccnc1.[3H-].[3H-].[3H]C.[V].[V].[V].
What is the InChIKey of 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)?
The InChIKey is SONIHDBLASDSCR-JFNFLINUSA-N. The full InChI is InChI=1S/C9H13N.C2H6.CH4.3V.2H/c1-9(2,3)8-5-4-6-10-7-8;1-2;;;;;;/h4-7H,1-3H3;1-2H3;1H4;;;;;/q;;;;;;2*-1/i;;1T;;;;2*1+2.
What are the key properties of 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium)?
3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium) has a molecular weight of 342.20 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylpyridine;ethane;bis(tritide);tritiomethane;tris(vanadium) is sourced from PubChem (CID 158198593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).