4-(4-nitrophenyl)thiophene-2-carboxylic acid

C11H7NO4S — CID 23063734

IUPAC4-(4-nitrophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H7NO4S/c13-11(14)10-5-8(6-17-10)7-1-3-9(4-2-7)12(15)16/h1-6H,(H,13,14)
InChIKeyFRZONJAENZJLQG-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.02
Rot. Bonds3

About 4-(4-nitrophenyl)thiophene-2-carboxylic acid

4-(4-nitrophenyl)thiophene-2-carboxylic acid (PubChem CID 23063734) has the molecular formula C11H7NO4S and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-(4-nitrophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-nitrophenyl)thiophene-2-carboxylic acid
PubChem CID23063734
Molecular FormulaC11H7NO4S
Molecular Weight249.25 g/mol
Exact Mass249.01
IUPAC Name4-(4-nitrophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C11H7NO4S/c13-11(14)10-5-8(6-17-10)7-1-3-9(4-2-7)12(15)16/h1-6H,(H,13,14)
InChIKeyFRZONJAENZJLQG-UHFFFAOYSA-N
XLogP3.02
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)thiophene-2-carboxylic acid
CID 2757170
4-(4-fluorophenyl)thiophene-2-carboxylic acid
CID 46313145
2-methyl-4-(4-nitrophenyl)thiophene
CID 86273277
2-hydroxy-5-(4-nitrophenyl)benzoic acid
CID 69207175
4-(2,4-dinitrophenoxy)thiophene-2-carboxylic acid
CID 66438461
4-(2-cyano-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66438462
4-(2-chloro-4-nitrophenoxy)thiophene-2-carboxylic acid
CID 66437146
methyl 4-(4-methoxy-3-nitrophenyl)thiophene-2-carboxylate
CID 166086486
4-(2-chloro-5-nitrophenoxy)thiophene-2-carboxylic acid
CID 113404043
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
CID 131866422
CID 131866422
4-(3-methyl-5-nitrophenoxy)thiophene-2-carboxylic acid
CID 112649654

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(4-nitrophenyl)thiophene-2-carboxylic acid (CID 23063734) is 4-(4-nitrophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(4-nitrophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(4-nitrophenyl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 4-(4-nitrophenyl)thiophene-2-carboxylic acid?
The InChIKey is FRZONJAENZJLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4S/c13-11(14)10-5-8(6-17-10)7-1-3-9(4-2-7)12(15)16/h1-6H,(H,13,14).
What are the key properties of 4-(4-nitrophenyl)thiophene-2-carboxylic acid?
4-(4-nitrophenyl)thiophene-2-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 23063734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).