3-deuterio-1-methyl-2,6-dihydropyridin-3-ol

C6H11NO — CID 162657020

IUPAC3-deuterio-1-methyl-2,6-dihydropyridin-3-ol
SMILES[2H]C1(O)C=CCN(C)C1
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/i6D
InChIKeyGLDHZKQYHDFALD-RAMDWTOOSA-N
MW114.17 g/mol
LogP-0.15
Rot. Bonds

About 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol

3-deuterio-1-methyl-2,6-dihydropyridin-3-ol (PubChem CID 162657020) has the molecular formula C6H11NO and a molecular weight of 114.17 g/mol. Its IUPAC name is 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol.

Molecular Properties

Compound Name3-deuterio-1-methyl-2,6-dihydropyridin-3-ol
PubChem CID162657020
Molecular FormulaC6H11NO
Molecular Weight114.17 g/mol
Exact Mass114.09
IUPAC Name3-deuterio-1-methyl-2,6-dihydropyridin-3-ol
SMILES[2H]C1(O)C=CCN(C)C1
InChIInChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/i6D
InChIKeyGLDHZKQYHDFALD-RAMDWTOOSA-N
XLogP-0.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol?
The IUPAC name of 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol (CID 162657020) is 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol.
What is the SMILES notation for 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol?
The canonical SMILES for 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol is [2H]C1(O)C=CCN(C)C1.
What is the InChIKey of 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol?
The InChIKey is GLDHZKQYHDFALD-RAMDWTOOSA-N. The full InChI is InChI=1S/C6H11NO/c1-7-4-2-3-6(8)5-7/h2-3,6,8H,4-5H2,1H3/i6D.
What are the key properties of 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol?
3-deuterio-1-methyl-2,6-dihydropyridin-3-ol has a molecular weight of 114.17 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-1-methyl-2,6-dihydropyridin-3-ol is sourced from PubChem (CID 162657020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).