6-(dimethylamino)-4-methylpyridine-3-carbaldehyde

C9H12N2O — CID 11816047

IUPAC6-(dimethylamino)-4-methylpyridine-3-carbaldehyde
SMILESCc1cc(N(C)C)ncc1C=O
InChIInChI=1S/C9H12N2O/c1-7-4-9(11(2)3)10-5-8(7)6-12/h4-6H,1-3H3
InChIKeyWPSFOIQTQNCLRY-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.27
Rot. Bonds2

About 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde

6-(dimethylamino)-4-methylpyridine-3-carbaldehyde (PubChem CID 11816047) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-4-methylpyridine-3-carbaldehyde
PubChem CID11816047
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-(dimethylamino)-4-methylpyridine-3-carbaldehyde
SMILESCc1cc(N(C)C)ncc1C=O
InChIInChI=1S/C9H12N2O/c1-7-4-9(11(2)3)10-5-8(7)6-12/h4-6H,1-3H3
InChIKeyWPSFOIQTQNCLRY-UHFFFAOYSA-N
XLogP1.27
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(dimethylamino)-4-methylpyridine-3-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde (CID 11816047) is 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde is Cc1cc(N(C)C)ncc1C=O.
What is the InChIKey of 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde?
The InChIKey is WPSFOIQTQNCLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-7-4-9(11(2)3)10-5-8(7)6-12/h4-6H,1-3H3.
What are the key properties of 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde?
6-(dimethylamino)-4-methylpyridine-3-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4-methylpyridine-3-carbaldehyde is sourced from PubChem (CID 11816047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).