3-methyl-2H-pyridine-3-carbaldehyde

C7H9NO — CID 152767661

IUPAC3-methyl-2H-pyridine-3-carbaldehyde
SMILESCC1(C=O)C=CC=NC1
InChIInChI=1S/C7H9NO/c1-7(6-9)3-2-4-8-5-7/h2-4,6H,5H2,1H3
InChIKeyWXHWGVOUBQXHAA-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.83
Rot. Bonds1

About 3-methyl-2H-pyridine-3-carbaldehyde

3-methyl-2H-pyridine-3-carbaldehyde (PubChem CID 152767661) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3-methyl-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name3-methyl-2H-pyridine-3-carbaldehyde
PubChem CID152767661
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3-methyl-2H-pyridine-3-carbaldehyde
SMILESCC1(C=O)C=CC=NC1
InChIInChI=1S/C7H9NO/c1-7(6-9)3-2-4-8-5-7/h2-4,6H,5H2,1H3
InChIKeyWXHWGVOUBQXHAA-UHFFFAOYSA-N
XLogP0.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.83
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 3-methyl-2H-pyridine-3-carbaldehyde?
The IUPAC name of 3-methyl-2H-pyridine-3-carbaldehyde (CID 152767661) is 3-methyl-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 3-methyl-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 3-methyl-2H-pyridine-3-carbaldehyde is CC1(C=O)C=CC=NC1.
What is the InChIKey of 3-methyl-2H-pyridine-3-carbaldehyde?
The InChIKey is WXHWGVOUBQXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-7(6-9)3-2-4-8-5-7/h2-4,6H,5H2,1H3.
What are the key properties of 3-methyl-2H-pyridine-3-carbaldehyde?
3-methyl-2H-pyridine-3-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 152767661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).