5-(2-hydroxyphenyl)thiophene-2-carbonyl azide

C11H7N3O2S — CID 19819609

IUPAC5-(2-hydroxyphenyl)thiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccccc2O)s1
InChIInChI=1S/C11H7N3O2S/c12-14-13-11(16)10-6-5-9(17-10)7-3-1-2-4-8(7)15/h1-6,15H
InChIKeyCAPVTWQFXFIOHT-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.57
Rot. Bonds2

About 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide

5-(2-hydroxyphenyl)thiophene-2-carbonyl azide (PubChem CID 19819609) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide.

Molecular Properties

Compound Name5-(2-hydroxyphenyl)thiophene-2-carbonyl azide
PubChem CID19819609
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name5-(2-hydroxyphenyl)thiophene-2-carbonyl azide
SMILES[N-]=[N+]=NC(=O)c1ccc(-c2ccccc2O)s1
InChIInChI=1S/C11H7N3O2S/c12-14-13-11(16)10-6-5-9(17-10)7-3-1-2-4-8(7)15/h1-6,15H
InChIKeyCAPVTWQFXFIOHT-UHFFFAOYSA-N
XLogP3.57
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-(2-hydroxyphenyl)thiophene-2-carbonyl azide?
The IUPAC name of 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide (CID 19819609) is 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide.
What is the SMILES notation for 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide?
The canonical SMILES for 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide is [N-]=[N+]=NC(=O)c1ccc(-c2ccccc2O)s1.
What is the InChIKey of 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide?
The InChIKey is CAPVTWQFXFIOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-14-13-11(16)10-6-5-9(17-10)7-3-1-2-4-8(7)15/h1-6,15H.
What are the key properties of 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide?
5-(2-hydroxyphenyl)thiophene-2-carbonyl azide has a molecular weight of 245.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyphenyl)thiophene-2-carbonyl azide is sourced from PubChem (CID 19819609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).