3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine

C10H14N2 — CID 46214194

IUPAC3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
SMILES[2H]C([2H])([2H])N1[C@H](c2cccnc2)CC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i1D3,3D2,7D2
InChIKeySNICXCGAKADSCV-LNTQSAFRSA-N
MW169.28 g/mol
LogP1.85
Rot. Bonds2

About 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine

3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine (PubChem CID 46214194) has the molecular formula C10H14N2 and a molecular weight of 169.28 g/mol. Its IUPAC name is 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
PubChem CID46214194
Molecular FormulaC10H14N2
Molecular Weight169.28 g/mol
Exact Mass169.16
IUPAC Name3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
SMILES[2H]C([2H])([2H])N1[C@H](c2cccnc2)CC([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i1D3,3D2,7D2
InChIKeySNICXCGAKADSCV-LNTQSAFRSA-N
XLogP1.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
N,N-dimethylmethanamine;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174560807
copper(1+);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;cyanide
CID 21152440
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
furan;3-(1-methylpyrrolidin-2-yl)pyridine
CID 159944485

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine (CID 46214194) is 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine is [2H]C([2H])([2H])N1[C@H](c2cccnc2)CC([2H])([2H])C1([2H])[2H].
What is the InChIKey of 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine?
The InChIKey is SNICXCGAKADSCV-LNTQSAFRSA-N. The full InChI is InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1/i1D3,3D2,7D2.
What are the key properties of 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine?
3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine has a molecular weight of 169.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 46214194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).