3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide

C9H7F3N2O2S — CID 134502722

IUPAC3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)N=O
InChIInChI=1S/C9H7F3N2O2S/c1-2-17-6-3-5(9(10,11)12)4-13-7(6)8(15)14-16/h3-4H,2H2,1H3
InChIKeyIKQBKKMKLAQNFC-UHFFFAOYSA-N
MW264.23 g/mol
LogP3.12
Rot. Bonds3

About 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide

3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 134502722) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID134502722
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCSc1cc(C(F)(F)F)cnc1C(=O)N=O
InChIInChI=1S/C9H7F3N2O2S/c1-2-17-6-3-5(9(10,11)12)4-13-7(6)8(15)14-16/h3-4H,2H2,1H3
InChIKeyIKQBKKMKLAQNFC-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide (CID 134502722) is 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide is CCSc1cc(C(F)(F)F)cnc1C(=O)N=O.
What is the InChIKey of 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is IKQBKKMKLAQNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c1-2-17-6-3-5(9(10,11)12)4-13-7(6)8(15)14-16/h3-4H,2H2,1H3.
What are the key properties of 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide?
3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 264.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-oxo-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 134502722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).