6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde

C9H8N4O — CID 118939706

IUPAC6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde
SMILESCc1ccc(-n2nccn2)c(C=O)n1
InChIInChI=1S/C9H8N4O/c1-7-2-3-9(8(6-14)12-7)13-10-4-5-11-13/h2-6H,1H3
InChIKeyVZIMHMHXWWFNHP-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.78
Rot. Bonds2

About 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde

6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde (PubChem CID 118939706) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde
PubChem CID118939706
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde
SMILESCc1ccc(-n2nccn2)c(C=O)n1
InChIInChI=1S/C9H8N4O/c1-7-2-3-9(8(6-14)12-7)13-10-4-5-11-13/h2-6H,1H3
InChIKeyVZIMHMHXWWFNHP-UHFFFAOYSA-N
XLogP0.78
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde?
The IUPAC name of 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde (CID 118939706) is 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde?
The canonical SMILES for 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde is Cc1ccc(-n2nccn2)c(C=O)n1.
What is the InChIKey of 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde?
The InChIKey is VZIMHMHXWWFNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-7-2-3-9(8(6-14)12-7)13-10-4-5-11-13/h2-6H,1H3.
What are the key properties of 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde?
6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(triazol-2-yl)pyridine-2-carbaldehyde is sourced from PubChem (CID 118939706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).