2,4,5,6-tetramethylpyridine-3-carbaldehyde

C10H13NO — CID 18734948

IUPAC2,4,5,6-tetramethylpyridine-3-carbaldehyde
SMILESCc1nc(C)c(C=O)c(C)c1C
InChIInChI=1S/C10H13NO/c1-6-7(2)10(5-12)9(4)11-8(6)3/h5H,1-4H3
InChIKeyPFDUCWDQASZVBK-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.13
Rot. Bonds1

About 2,4,5,6-tetramethylpyridine-3-carbaldehyde

2,4,5,6-tetramethylpyridine-3-carbaldehyde (PubChem CID 18734948) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,4,5,6-tetramethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,4,5,6-tetramethylpyridine-3-carbaldehyde
PubChem CID18734948
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2,4,5,6-tetramethylpyridine-3-carbaldehyde
SMILESCc1nc(C)c(C=O)c(C)c1C
InChIInChI=1S/C10H13NO/c1-6-7(2)10(5-12)9(4)11-8(6)3/h5H,1-4H3
InChIKeyPFDUCWDQASZVBK-UHFFFAOYSA-N
XLogP2.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.13
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 2,4,5,6-tetramethylpyridine-3-carbaldehyde?
The IUPAC name of 2,4,5,6-tetramethylpyridine-3-carbaldehyde (CID 18734948) is 2,4,5,6-tetramethylpyridine-3-carbaldehyde.
What is the SMILES notation for 2,4,5,6-tetramethylpyridine-3-carbaldehyde?
The canonical SMILES for 2,4,5,6-tetramethylpyridine-3-carbaldehyde is Cc1nc(C)c(C=O)c(C)c1C.
What is the InChIKey of 2,4,5,6-tetramethylpyridine-3-carbaldehyde?
The InChIKey is PFDUCWDQASZVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-6-7(2)10(5-12)9(4)11-8(6)3/h5H,1-4H3.
What are the key properties of 2,4,5,6-tetramethylpyridine-3-carbaldehyde?
2,4,5,6-tetramethylpyridine-3-carbaldehyde has a molecular weight of 163.22 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetramethylpyridine-3-carbaldehyde is sourced from PubChem (CID 18734948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).