3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid

C10H11ClN2O3S — CID 54975157

IUPAC3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCS(=O)CC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O3S/c11-7-1-2-8(12-9(7)10(14)15)13-3-5-17(16)6-4-13/h1-2H,3-6H2,(H,14,15)
InChIKeyXVSFUDVFPCTXIL-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.00
Rot. Bonds2

About 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid

3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid (PubChem CID 54975157) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
PubChem CID54975157
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(N2CCS(=O)CC2)ccc1Cl
InChIInChI=1S/C10H11ClN2O3S/c11-7-1-2-8(12-9(7)10(14)15)13-3-5-17(16)6-4-13/h1-2H,3-6H2,(H,14,15)
InChIKeyXVSFUDVFPCTXIL-UHFFFAOYSA-N
XLogP1.00
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid (CID 54975157) is 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid is O=C(O)c1nc(N2CCS(=O)CC2)ccc1Cl.
What is the InChIKey of 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
The InChIKey is XVSFUDVFPCTXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-7-1-2-8(12-9(7)10(14)15)13-3-5-17(16)6-4-13/h1-2H,3-6H2,(H,14,15).
What are the key properties of 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid?
3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid has a molecular weight of 274.73 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1-oxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 54975157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).