4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

C10H10ClF3N2O2S — CID 102715530

IUPAC4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1
InChIInChI=1S/C10H10ClF3N2O2S/c11-8-5-7(10(12,13)14)6-9(15-8)16-1-3-19(17,18)4-2-16/h5-6H,1-4H2
InChIKeyCKYYNHZCLVLCTR-UHFFFAOYSA-N
MW314.72 g/mol
LogP1.99
Rot. Bonds1

About 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide

4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 102715530) has the molecular formula C10H10ClF3N2O2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
PubChem CID102715530
Molecular FormulaC10H10ClF3N2O2S
Molecular Weight314.72 g/mol
Exact Mass314.01
IUPAC Name4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1
InChIInChI=1S/C10H10ClF3N2O2S/c11-8-5-7(10(12,13)14)6-9(15-8)16-1-3-19(17,18)4-2-16/h5-6H,1-4H2
InChIKeyCKYYNHZCLVLCTR-UHFFFAOYSA-N
XLogP1.99
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.72
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide (CID 102715530) is 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2cc(C(F)(F)F)cc(Cl)n2)CC1.
What is the InChIKey of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is CKYYNHZCLVLCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2S/c11-8-5-7(10(12,13)14)6-9(15-8)16-1-3-19(17,18)4-2-16/h5-6H,1-4H2.
What are the key properties of 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide?
4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 314.72 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102715530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).