1-methyl-4H-pyridine-3-carbaldehyde

C7H9NO — CID 14417296

IUPAC1-methyl-4H-pyridine-3-carbaldehyde
SMILESCN1C=CCC(C=O)=C1
InChIInChI=1S/C7H9NO/c1-8-4-2-3-7(5-8)6-9/h2,4-6H,3H2,1H3
InChIKeyKKPDDSVRUOLJNP-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.92
Rot. Bonds1

About 1-methyl-4H-pyridine-3-carbaldehyde

1-methyl-4H-pyridine-3-carbaldehyde (PubChem CID 14417296) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1-methyl-4H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4H-pyridine-3-carbaldehyde
PubChem CID14417296
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1-methyl-4H-pyridine-3-carbaldehyde
SMILESCN1C=CCC(C=O)=C1
InChIInChI=1S/C7H9NO/c1-8-4-2-3-7(5-8)6-9/h2,4-6H,3H2,1H3
InChIKeyKKPDDSVRUOLJNP-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 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 ≤ 50.92
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 1-methyl-4H-pyridine-3-carbaldehyde?
The IUPAC name of 1-methyl-4H-pyridine-3-carbaldehyde (CID 14417296) is 1-methyl-4H-pyridine-3-carbaldehyde.
What is the SMILES notation for 1-methyl-4H-pyridine-3-carbaldehyde?
The canonical SMILES for 1-methyl-4H-pyridine-3-carbaldehyde is CN1C=CCC(C=O)=C1.
What is the InChIKey of 1-methyl-4H-pyridine-3-carbaldehyde?
The InChIKey is KKPDDSVRUOLJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-8-4-2-3-7(5-8)6-9/h2,4-6H,3H2,1H3.
What are the key properties of 1-methyl-4H-pyridine-3-carbaldehyde?
1-methyl-4H-pyridine-3-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-pyridine-3-carbaldehyde is sourced from PubChem (CID 14417296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).