1,2-dimethylpyridine-2-carbaldehyde

C8H11NO — CID 174622494

IUPAC1,2-dimethylpyridine-2-carbaldehyde
SMILESCN1C=CC=CC1(C)C=O
InChIInChI=1S/C8H11NO/c1-8(7-10)5-3-4-6-9(8)2/h3-7H,1-2H3
InChIKeyAZZKHGYPBBXQDA-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.96
Rot. Bonds1

About 1,2-dimethylpyridine-2-carbaldehyde

1,2-dimethylpyridine-2-carbaldehyde (PubChem CID 174622494) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1,2-dimethylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name1,2-dimethylpyridine-2-carbaldehyde
PubChem CID174622494
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1,2-dimethylpyridine-2-carbaldehyde
SMILESCN1C=CC=CC1(C)C=O
InChIInChI=1S/C8H11NO/c1-8(7-10)5-3-4-6-9(8)2/h3-7H,1-2H3
InChIKeyAZZKHGYPBBXQDA-UHFFFAOYSA-N
XLogP0.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.96
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 1,2-dimethylpyridine-2-carbaldehyde?
The IUPAC name of 1,2-dimethylpyridine-2-carbaldehyde (CID 174622494) is 1,2-dimethylpyridine-2-carbaldehyde.
What is the SMILES notation for 1,2-dimethylpyridine-2-carbaldehyde?
The canonical SMILES for 1,2-dimethylpyridine-2-carbaldehyde is CN1C=CC=CC1(C)C=O.
What is the InChIKey of 1,2-dimethylpyridine-2-carbaldehyde?
The InChIKey is AZZKHGYPBBXQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-8(7-10)5-3-4-6-9(8)2/h3-7H,1-2H3.
What are the key properties of 1,2-dimethylpyridine-2-carbaldehyde?
1,2-dimethylpyridine-2-carbaldehyde has a molecular weight of 137.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyridine-2-carbaldehyde is sourced from PubChem (CID 174622494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).