4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid

C10H5ClFNO2S2 — CID 79728634

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2ncc(Cl)cc2F)cs1
InChIInChI=1S/C10H5ClFNO2S2/c11-5-1-7(12)9(13-3-5)17-6-2-8(10(14)15)16-4-6/h1-4H,(H,14,15)
InChIKeyJCHMYGINRRIXMY-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.79
Rot. Bonds3

About 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid

4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid (PubChem CID 79728634) has the molecular formula C10H5ClFNO2S2 and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid
PubChem CID79728634
Molecular FormulaC10H5ClFNO2S2
Molecular Weight289.74 g/mol
Exact Mass288.94
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Sc2ncc(Cl)cc2F)cs1
InChIInChI=1S/C10H5ClFNO2S2/c11-5-1-7(12)9(13-3-5)17-6-2-8(10(14)15)16-4-6/h1-4H,(H,14,15)
InChIKeyJCHMYGINRRIXMY-UHFFFAOYSA-N
XLogP3.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid (CID 79728634) is 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid is O=C(O)c1cc(Sc2ncc(Cl)cc2F)cs1.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid?
The InChIKey is JCHMYGINRRIXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFNO2S2/c11-5-1-7(12)9(13-3-5)17-6-2-8(10(14)15)16-4-6/h1-4H,(H,14,15).
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid?
4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 79728634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).