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

C11H6ClNO4S — CID 90258661

IUPAC5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2[N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H6ClNO4S/c12-10-7(5-9(18-10)11(14)15)6-3-1-2-4-8(6)13(16)17/h1-5H,(H,14,15)
InChIKeyITQFSQPJYWUPAO-UHFFFAOYSA-N
MW283.69 g/mol
LogP3.67
Rot. Bonds3

About 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid

5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid (PubChem CID 90258661) has the molecular formula C11H6ClNO4S and a molecular weight of 283.69 g/mol. Its IUPAC name is 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid
PubChem CID90258661
Molecular FormulaC11H6ClNO4S
Molecular Weight283.69 g/mol
Exact Mass282.97
IUPAC Name5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2[N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H6ClNO4S/c12-10-7(5-9(18-10)11(14)15)6-3-1-2-4-8(6)13(16)17/h1-5H,(H,14,15)
InChIKeyITQFSQPJYWUPAO-UHFFFAOYSA-N
XLogP3.67
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 53.67
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

2,5-dichloro-3-(2-nitrophenyl)thiophene
CID 125484560
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
4-methoxy-3-(2-nitrophenyl)benzoic acid
CID 82039203
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
benzene;2-nitrobenzoic acid
CID 19891435
5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
CID 84575839
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
1-[2-(2-nitrophenyl)-1,3-thiazol-5-yl]ethanone
CID 62652991
6-chloro-4-(2-nitrophenyl)-1H-indole
CID 90257503

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid (CID 90258661) is 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2[N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid?
The InChIKey is ITQFSQPJYWUPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClNO4S/c12-10-7(5-9(18-10)11(14)15)6-3-1-2-4-8(6)13(16)17/h1-5H,(H,14,15).
What are the key properties of 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid?
5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid has a molecular weight of 283.69 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-nitrophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 90258661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).