3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid

C11H7ClFNO2S — CID 83034927

IUPAC3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2ccc(F)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C11H7ClFNO2S/c12-6-3-5(1-2-7(6)13)9-4-8(14)10(17-9)11(15)16/h1-4H,14H2,(H,15,16)
InChIKeyXNMXCKCMVMVODS-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.49
Rot. Bonds2

About 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid

3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid (PubChem CID 83034927) has the molecular formula C11H7ClFNO2S and a molecular weight of 271.70 g/mol. Its IUPAC name is 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
PubChem CID83034927
Molecular FormulaC11H7ClFNO2S
Molecular Weight271.70 g/mol
Exact Mass270.99
IUPAC Name3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
SMILESNc1cc(-c2ccc(F)c(Cl)c2)sc1C(=O)O
InChIInChI=1S/C11H7ClFNO2S/c12-6-3-5(1-2-7(6)13)9-4-8(14)10(17-9)11(15)16/h1-4H,14H2,(H,15,16)
InChIKeyXNMXCKCMVMVODS-UHFFFAOYSA-N
XLogP3.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(5-bromo-2-fluorophenyl)thiophene-2-carboxylic acid
CID 83035554
3-amino-5-(2-fluoro-5-methylphenyl)thiophene-2-carboxylic acid
CID 83035353
3-amino-5-(2-bromo-4-chlorophenyl)thiophene-2-carboxylic acid
CID 107989286
3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
CID 83036382
3-amino-5-(furan-3-yl)thiophene-2-carboxylic acid
CID 83034402
3-amino-5-(4-chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 83034408
methyl 3-amino-5-(4-bromo-3-chlorophenyl)thiophene-2-carboxylate
CID 81294950
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 83035354
3-amino-5-(2-methylphenyl)thiophene-2-carboxylic acid
CID 83035559
3-amino-5-(6-fluoro-1-benzothiophen-2-yl)thiophene-2-carboxylic acid
CID 83035556
4-chloro-2-(3-chloro-4-fluorophenyl)benzoic acid
CID 53226934

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid (CID 83034927) is 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid is Nc1cc(-c2ccc(F)c(Cl)c2)sc1C(=O)O.
What is the InChIKey of 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid?
The InChIKey is XNMXCKCMVMVODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO2S/c12-6-3-5(1-2-7(6)13)9-4-8(14)10(17-9)11(15)16/h1-4H,14H2,(H,15,16).
What are the key properties of 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid?
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid has a molecular weight of 271.70 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83034927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).