5-pyridin-4-ylthiophene-2-carbonyl azide

C10H6N4OS — CID 89407572

IUPAC5-pyridin-4-ylthiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C10H6N4OS/c11-14-13-10(15)9-2-1-8(16-9)7-3-5-12-6-4-7/h1-6H
InChIKeyZXLNKDYCQGFELS-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.26
Rot. Bonds2

About 5-pyridin-4-ylthiophene-2-carbonyl azide

5-pyridin-4-ylthiophene-2-carbonyl azide (PubChem CID 89407572) has the molecular formula C10H6N4OS and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-pyridin-4-ylthiophene-2-carbonyl azide.

Molecular Properties

Compound Name5-pyridin-4-ylthiophene-2-carbonyl azide
PubChem CID89407572
Molecular FormulaC10H6N4OS
Molecular Weight230.25 g/mol
Exact Mass230.03
IUPAC Name5-pyridin-4-ylthiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C10H6N4OS/c11-14-13-10(15)9-2-1-8(16-9)7-3-5-12-6-4-7/h1-6H
InChIKeyZXLNKDYCQGFELS-UHFFFAOYSA-N
XLogP3.26
TPSA78.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylthiophene-2-carbonyl azide?
The IUPAC name of 5-pyridin-4-ylthiophene-2-carbonyl azide (CID 89407572) is 5-pyridin-4-ylthiophene-2-carbonyl azide.
What is the SMILES notation for 5-pyridin-4-ylthiophene-2-carbonyl azide?
The canonical SMILES for 5-pyridin-4-ylthiophene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ccc(-c2ccncc2)s1.
What is the InChIKey of 5-pyridin-4-ylthiophene-2-carbonyl azide?
The InChIKey is ZXLNKDYCQGFELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4OS/c11-14-13-10(15)9-2-1-8(16-9)7-3-5-12-6-4-7/h1-6H.
What are the key properties of 5-pyridin-4-ylthiophene-2-carbonyl azide?
5-pyridin-4-ylthiophene-2-carbonyl azide has a molecular weight of 230.25 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-ylthiophene-2-carbonyl azide is sourced from PubChem (CID 89407572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).