3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid

C11H7F2NO2S — CID 165495967

IUPAC3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid
SMILESNc1cc(F)c(F)c(-c2ccsc2C(=O)O)c1
InChIInChI=1S/C11H7F2NO2S/c12-8-4-5(14)3-7(9(8)13)6-1-2-17-10(6)11(15)16/h1-4H,14H2,(H,15,16)
InChIKeyJBHDJAPRSOAANG-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.97
Rot. Bonds2

About 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid

3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid (PubChem CID 165495967) has the molecular formula C11H7F2NO2S and a molecular weight of 255.25 g/mol. Its IUPAC name is 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid
PubChem CID165495967
Molecular FormulaC11H7F2NO2S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid
SMILESNc1cc(F)c(F)c(-c2ccsc2C(=O)O)c1
InChIInChI=1S/C11H7F2NO2S/c12-8-4-5(14)3-7(9(8)13)6-1-2-17-10(6)11(15)16/h1-4H,14H2,(H,15,16)
InChIKeyJBHDJAPRSOAANG-UHFFFAOYSA-N
XLogP2.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
3-amino-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylic Acid
CID 2740235
3-[(5-Ethylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 53535832
5-[(5-Ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
CID 56816757
5-Amino-1-benzothiophene-2-carboxylic acid
CID 2764555
3-[(Thien-2-ylcarbonyl)amino]benzoic acid
CID 733125
5-Amino-1-benzothiophene-2-carboxylic acid hydrochloride
CID 16426104
3-[4-(Thiophen-2-yl)butanamido]benzoic acid
CID 20117046
2-amino-4-(4-fluorophenyl)thiophene-3-carboxylic Acid
CID 3597014
3-amino-5-(4-fluorophenyl)thiophene-2-carboxylic Acid
CID 10752341
3-Amino-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid
CID 18975276
3-[[3,5-Bis(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 20623595

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid (CID 165495967) is 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid is Nc1cc(F)c(F)c(-c2ccsc2C(=O)O)c1.
What is the InChIKey of 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid?
The InChIKey is JBHDJAPRSOAANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO2S/c12-8-4-5(14)3-7(9(8)13)6-1-2-17-10(6)11(15)16/h1-4H,14H2,(H,15,16).
What are the key properties of 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid?
3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2,3-difluorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 165495967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).