2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid

C7H5ClFNO2S — CID 79357437

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
SMILESO=C(O)C(F)Sc1ccc(Cl)cn1
InChIInChI=1S/C7H5ClFNO2S/c8-4-1-2-5(10-3-4)13-6(9)7(11)12/h1-3,6H,(H,11,12)
InChIKeyCNGWVJAJXZYXGK-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.21
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid

2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid (PubChem CID 79357437) has the molecular formula C7H5ClFNO2S and a molecular weight of 221.64 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
PubChem CID79357437
Molecular FormulaC7H5ClFNO2S
Molecular Weight221.64 g/mol
Exact Mass220.97
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid
SMILESO=C(O)C(F)Sc1ccc(Cl)cn1
InChIInChI=1S/C7H5ClFNO2S/c8-4-1-2-5(10-3-4)13-6(9)7(11)12/h1-3,6H,(H,11,12)
InChIKeyCNGWVJAJXZYXGK-UHFFFAOYSA-N
XLogP2.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid (CID 79357437) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid is O=C(O)C(F)Sc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
The InChIKey is CNGWVJAJXZYXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2S/c8-4-1-2-5(10-3-4)13-6(9)7(11)12/h1-3,6H,(H,11,12).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid?
2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid has a molecular weight of 221.64 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-2-fluoroacetic acid is sourced from PubChem (CID 79357437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).