6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde

C14H14N2O — CID 165490065

IUPAC6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde
SMILESCc1cc(N)cc(-c2ccc(C=O)cn2)c1C
InChIInChI=1S/C14H14N2O/c1-9-5-12(15)6-13(10(9)2)14-4-3-11(8-17)7-16-14/h3-8H,15H2,1-2H3
InChIKeyIJCJVESHBKYUIO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.76
Rot. Bonds2

About 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde

6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde (PubChem CID 165490065) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde
PubChem CID165490065
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde
SMILESCc1cc(N)cc(-c2ccc(C=O)cn2)c1C
InChIInChI=1S/C14H14N2O/c1-9-5-12(15)6-13(10(9)2)14-4-3-11(8-17)7-16-14/h3-8H,15H2,1-2H3
InChIKeyIJCJVESHBKYUIO-UHFFFAOYSA-N
XLogP2.76
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde (CID 165490065) is 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde is Cc1cc(N)cc(-c2ccc(C=O)cn2)c1C.
What is the InChIKey of 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde?
The InChIKey is IJCJVESHBKYUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-5-12(15)6-13(10(9)2)14-4-3-11(8-17)7-16-14/h3-8H,15H2,1-2H3.
What are the key properties of 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde?
6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2,3-dimethylphenyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 165490065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).