2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid

C9H7F4NO2S — CID 46398493

IUPAC2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCC(F)(F)C(F)F
InChIInChI=1S/C9H7F4NO2S/c10-8(11)9(12,13)4-17-6-5(7(15)16)2-1-3-14-6/h1-3,8H,4H2,(H,15,16)
InChIKeyDVQABGISCKXLTA-UHFFFAOYSA-N
MW269.22 g/mol
LogP2.77
Rot. Bonds5

About 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid

2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 46398493) has the molecular formula C9H7F4NO2S and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid
PubChem CID46398493
Molecular FormulaC9H7F4NO2S
Molecular Weight269.22 g/mol
Exact Mass269.01
IUPAC Name2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1SCC(F)(F)C(F)F
InChIInChI=1S/C9H7F4NO2S/c10-8(11)9(12,13)4-17-6-5(7(15)16)2-1-3-14-6/h1-3,8H,4H2,(H,15,16)
InChIKeyDVQABGISCKXLTA-UHFFFAOYSA-N
XLogP2.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-(2-fluoroethylsulfanyl)pyridine-3-carboxylic acid
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2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-3-carboxylic acid
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2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
CID 114198906
2-(2-aminoethylsulfanyl)pyridine-3-carboxylic acid;hydrochloride
CID 70452935
2-(4-hydroxybutan-2-ylsulfanyl)pyridine-3-carboxylic acid
CID 66104811
2-[2-[(2-methylpropan-2-yl)oxy]ethylsulfanyl]pyridine-3-carboxylic acid
CID 112587932
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]pyridine-3-carboxylic acid
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2-(trisulfanyl)pyridine-3-carboxylic acid
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2-but-3-ynylsulfanylpyridine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid (CID 46398493) is 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid is O=C(O)c1cccnc1SCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is DVQABGISCKXLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO2S/c10-8(11)9(12,13)4-17-6-5(7(15)16)2-1-3-14-6/h1-3,8H,4H2,(H,15,16).
What are the key properties of 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid?
2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 46398493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).