6-methyl-2H-pyridine-1-carbaldehyde

C7H9NO — CID 19804787

IUPAC6-methyl-2H-pyridine-1-carbaldehyde
SMILESCC1=CC=CCN1C=O
InChIInChI=1S/C7H9NO/c1-7-4-2-3-5-8(7)6-9/h2-4,6H,5H2,1H3
InChIKeyQAUMBUBWOPRSGQ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.92
Rot. Bonds1

About 6-methyl-2H-pyridine-1-carbaldehyde

6-methyl-2H-pyridine-1-carbaldehyde (PubChem CID 19804787) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 6-methyl-2H-pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-methyl-2H-pyridine-1-carbaldehyde
PubChem CID19804787
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name6-methyl-2H-pyridine-1-carbaldehyde
SMILESCC1=CC=CCN1C=O
InChIInChI=1S/C7H9NO/c1-7-4-2-3-5-8(7)6-9/h2-4,6H,5H2,1H3
InChIKeyQAUMBUBWOPRSGQ-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-2H-pyridine-1-carbaldehyde?
The IUPAC name of 6-methyl-2H-pyridine-1-carbaldehyde (CID 19804787) is 6-methyl-2H-pyridine-1-carbaldehyde.
What is the SMILES notation for 6-methyl-2H-pyridine-1-carbaldehyde?
The canonical SMILES for 6-methyl-2H-pyridine-1-carbaldehyde is CC1=CC=CCN1C=O.
What is the InChIKey of 6-methyl-2H-pyridine-1-carbaldehyde?
The InChIKey is QAUMBUBWOPRSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-7-4-2-3-5-8(7)6-9/h2-4,6H,5H2,1H3.
What are the key properties of 6-methyl-2H-pyridine-1-carbaldehyde?
6-methyl-2H-pyridine-1-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-pyridine-1-carbaldehyde is sourced from PubChem (CID 19804787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).