6-(trideuteriomethyl)pyridine-2-carbaldehyde

C7H7NO — CID 169443804

IUPAC6-(trideuteriomethyl)pyridine-2-carbaldehyde
SMILES[2H]C([2H])([2H])c1cccc(C=O)n1
InChIInChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3/i1D3
InChIKeyAHISYUZBWDSPQL-FIBGUPNXSA-N
MW124.16 g/mol
LogP1.20
Rot. Bonds2

About 6-(trideuteriomethyl)pyridine-2-carbaldehyde

6-(trideuteriomethyl)pyridine-2-carbaldehyde (PubChem CID 169443804) has the molecular formula C7H7NO and a molecular weight of 124.16 g/mol. Its IUPAC name is 6-(trideuteriomethyl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(trideuteriomethyl)pyridine-2-carbaldehyde
PubChem CID169443804
Molecular FormulaC7H7NO
Molecular Weight124.16 g/mol
Exact Mass124.07
IUPAC Name6-(trideuteriomethyl)pyridine-2-carbaldehyde
SMILES[2H]C([2H])([2H])c1cccc(C=O)n1
InChIInChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3/i1D3
InChIKeyAHISYUZBWDSPQL-FIBGUPNXSA-N
XLogP1.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(trideuteriomethyl)pyridine-2-carbaldehyde?
The IUPAC name of 6-(trideuteriomethyl)pyridine-2-carbaldehyde (CID 169443804) is 6-(trideuteriomethyl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(trideuteriomethyl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(trideuteriomethyl)pyridine-2-carbaldehyde is [2H]C([2H])([2H])c1cccc(C=O)n1.
What is the InChIKey of 6-(trideuteriomethyl)pyridine-2-carbaldehyde?
The InChIKey is AHISYUZBWDSPQL-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3/i1D3.
What are the key properties of 6-(trideuteriomethyl)pyridine-2-carbaldehyde?
6-(trideuteriomethyl)pyridine-2-carbaldehyde has a molecular weight of 124.16 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trideuteriomethyl)pyridine-2-carbaldehyde is sourced from PubChem (CID 169443804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).