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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Related Compounds

5-chloro-2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 107754025
3-[(5-chloro-2-pyridinyl)sulfanyl]-2-methylbutanehydrazide
CID 79405258
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanoic acid
CID 64703368
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64705170
5-[(5-chloro-2-pyridinyl)sulfanyl]pyridine-2-carboxylic acid
CID 115491247
carbonic acid;2,5-dichloropyridine
CID 159285207
5-chloro-2-[1-(2-fluorophenyl)ethylsulfanyl]pyridine
CID 112832335
2-fluoro-2-(2-fluorophenyl)sulfanylacetic acid
CID 79357614
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(methylamino)pentanamide
CID 64703761
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 112815696
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64704367
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 112817769

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).