dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol

C7H9NO2 — CID 171035743

IUPACdideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol
SMILES[2H]C([2H])(O)c1cccnc1C([2H])([2H])O
InChIInChI=1S/C7H9NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,9-10H,4-5H2/i4D2,5D2
InChIKeyDFTLQVHYDAMGCG-CQOLUAMGSA-N
MW143.18 g/mol
LogP0.07
Rot. Bonds2

About dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol

dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol (PubChem CID 171035743) has the molecular formula C7H9NO2 and a molecular weight of 143.18 g/mol. Its IUPAC name is dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Namedideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol
PubChem CID171035743
Molecular FormulaC7H9NO2
Molecular Weight143.18 g/mol
Exact Mass143.09
IUPAC Namedideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol
SMILES[2H]C([2H])(O)c1cccnc1C([2H])([2H])O
InChIInChI=1S/C7H9NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,9-10H,4-5H2/i4D2,5D2
InChIKeyDFTLQVHYDAMGCG-CQOLUAMGSA-N
XLogP0.07
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol?
The IUPAC name of dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol (CID 171035743) is dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol.
What is the SMILES notation for dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol?
The canonical SMILES for dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol is [2H]C([2H])(O)c1cccnc1C([2H])([2H])O.
What is the InChIKey of dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol?
The InChIKey is DFTLQVHYDAMGCG-CQOLUAMGSA-N. The full InChI is InChI=1S/C7H9NO2/c9-4-6-2-1-3-8-7(6)5-10/h1-3,9-10H,4-5H2/i4D2,5D2.
What are the key properties of dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol?
dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol has a molecular weight of 143.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dideuterio-[2-[dideuterio(hydroxy)methyl]-3-pyridinyl]methanol is sourced from PubChem (CID 171035743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).