5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde

C9H7BrN4O — CID 106463237

IUPAC5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde
SMILESCn1nnc(Br)c1-c1cncc(C=O)c1
InChIInChI=1S/C9H7BrN4O/c1-14-8(9(10)12-13-14)7-2-6(5-15)3-11-4-7/h2-5H,1H3
InChIKeyUSNZNKHJJQCPII-UHFFFAOYSA-N
MW267.09 g/mol
LogP1.45
Rot. Bonds2

About 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde

5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde (PubChem CID 106463237) has the molecular formula C9H7BrN4O and a molecular weight of 267.09 g/mol. Its IUPAC name is 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde
PubChem CID106463237
Molecular FormulaC9H7BrN4O
Molecular Weight267.09 g/mol
Exact Mass265.98
IUPAC Name5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde
SMILESCn1nnc(Br)c1-c1cncc(C=O)c1
InChIInChI=1S/C9H7BrN4O/c1-14-8(9(10)12-13-14)7-2-6(5-15)3-11-4-7/h2-5H,1H3
InChIKeyUSNZNKHJJQCPII-UHFFFAOYSA-N
XLogP1.45
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 51.45
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 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde (CID 106463237) is 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde is Cn1nnc(Br)c1-c1cncc(C=O)c1.
What is the InChIKey of 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde?
The InChIKey is USNZNKHJJQCPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4O/c1-14-8(9(10)12-13-14)7-2-6(5-15)3-11-4-7/h2-5H,1H3.
What are the key properties of 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde?
5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde has a molecular weight of 267.09 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-3-methyltriazol-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 106463237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).