6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid

C13H10F2N2O2S — CID 62253042

IUPAC6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C13H10F2N2O2S/c14-13(15)20-10-6-2-1-4-8(10)16-11-7-3-5-9(17-11)12(18)19/h1-7,13H,(H,16,17)(H,18,19)
InChIKeyJCAJWRAVIKQTKE-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.84
Rot. Bonds5

About 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid

6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid (PubChem CID 62253042) has the molecular formula C13H10F2N2O2S and a molecular weight of 296.30 g/mol. Its IUPAC name is 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid
PubChem CID62253042
Molecular FormulaC13H10F2N2O2S
Molecular Weight296.30 g/mol
Exact Mass296.04
IUPAC Name6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ccccc2SC(F)F)n1
InChIInChI=1S/C13H10F2N2O2S/c14-13(15)20-10-6-2-1-4-8(10)16-11-7-3-5-9(17-11)12(18)19/h1-7,13H,(H,16,17)(H,18,19)
InChIKeyJCAJWRAVIKQTKE-UHFFFAOYSA-N
XLogP3.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid (CID 62253042) is 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid is O=C(O)c1cccc(Nc2ccccc2SC(F)F)n1.
What is the InChIKey of 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid?
The InChIKey is JCAJWRAVIKQTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S/c14-13(15)20-10-6-2-1-4-8(10)16-11-7-3-5-9(17-11)12(18)19/h1-7,13H,(H,16,17)(H,18,19).
What are the key properties of 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid?
6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(difluoromethylsulfanyl)anilino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62253042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).