1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol

C8H11NO — CID 71750573

IUPAC1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol
SMILES[2H]C([2H])([2H])C([2H])(O)c1ccc(C)nc1
InChIInChI=1S/C8H11NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5,7,10H,1-2H3/i2D3,7D
InChIKeyLYMOQGXOROSRPJ-QFRGLVERSA-N
MW141.21 g/mol
LogP1.44
Rot. Bonds2

About 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol

1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol (PubChem CID 71750573) has the molecular formula C8H11NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol
PubChem CID71750573
Molecular FormulaC8H11NO
Molecular Weight141.21 g/mol
Exact Mass141.11
IUPAC Name1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol
SMILES[2H]C([2H])([2H])C([2H])(O)c1ccc(C)nc1
InChIInChI=1S/C8H11NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5,7,10H,1-2H3/i2D3,7D
InChIKeyLYMOQGXOROSRPJ-QFRGLVERSA-N
XLogP1.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol (CID 71750573) is 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol is [2H]C([2H])([2H])C([2H])(O)c1ccc(C)nc1.
What is the InChIKey of 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is LYMOQGXOROSRPJ-QFRGLVERSA-N. The full InChI is InChI=1S/C8H11NO/c1-6-3-4-8(5-9-6)7(2)10/h3-5,7,10H,1-2H3/i2D3,7D.
What are the key properties of 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol?
1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 141.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,2-tetradeuterio-1-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 71750573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).