5-(4-azidophenyl)thiophene-2-carboxylic acid

C11H7N3O2S — CID 165474509

IUPAC5-(4-azidophenyl)thiophene-2-carboxylic acid
SMILES[N-]=[N+]=Nc1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C11H7N3O2S/c12-14-13-8-3-1-7(2-4-8)9-5-6-10(17-9)11(15)16/h1-6H,(H,15,16)
InChIKeyDHAXRUXZOUGQMB-UHFFFAOYSA-N
MW245.26 g/mol
LogP4.06
Rot. Bonds3

About 5-(4-azidophenyl)thiophene-2-carboxylic acid

5-(4-azidophenyl)thiophene-2-carboxylic acid (PubChem CID 165474509) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 5-(4-azidophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-azidophenyl)thiophene-2-carboxylic acid
PubChem CID165474509
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name5-(4-azidophenyl)thiophene-2-carboxylic acid
SMILES[N-]=[N+]=Nc1ccc(-c2ccc(C(=O)O)s2)cc1
InChIInChI=1S/C11H7N3O2S/c12-14-13-8-3-1-7(2-4-8)9-5-6-10(17-9)11(15)16/h1-6H,(H,15,16)
InChIKeyDHAXRUXZOUGQMB-UHFFFAOYSA-N
XLogP4.06
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 54.06
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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Related Compounds

5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-[4-(aminomethyl)phenyl]thiophene-2-carboxylic acid
CID 150344942
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
5-pyridin-4-ylthiophene-2-carbonyl azide
CID 89407572
5-[4-(1,1-difluoropropyl)phenyl]thiophene-2-carboxylic acid
CID 142940880
1-(4-azidophenyl)-2-phenylethane-1,2-dione
CID 89499580
5-(5-hydroxy-3-pyridinyl)thiophene-2-carboxylic acid
CID 18801324
4-(3-azidophenyl)-2-(trifluoromethyl)benzoic acid
CID 155436745
5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
CID 54562446
5-[5-[4-[4-(5-hexylthiophen-2-yl)-N-[4-(5-hexylthiophen-2-yl)phenyl]anilino]phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 101136994
4-azidobenzoic acid;pyrrolidine-2,5-dione
CID 19083385
thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-azidophenyl)thiophene-2-carboxylic acid (CID 165474509) is 5-(4-azidophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-azidophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-azidophenyl)thiophene-2-carboxylic acid is [N-]=[N+]=Nc1ccc(-c2ccc(C(=O)O)s2)cc1.
What is the InChIKey of 5-(4-azidophenyl)thiophene-2-carboxylic acid?
The InChIKey is DHAXRUXZOUGQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c12-14-13-8-3-1-7(2-4-8)9-5-6-10(17-9)11(15)16/h1-6H,(H,15,16).
What are the key properties of 5-(4-azidophenyl)thiophene-2-carboxylic acid?
5-(4-azidophenyl)thiophene-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 165474509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).