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

C11H13ClN2O4S — CID 102883883

IUPAC6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H13ClN2O4S/c1-7-6-19(17,18)5-4-14(7)10-8(11(15)16)2-3-9(12)13-10/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyPSLRLOQAOAQMGC-UHFFFAOYSA-N
MW304.75 g/mol
LogP1.06
Rot. Bonds2

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

6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid (PubChem CID 102883883) has the molecular formula C11H13ClN2O4S and a molecular weight of 304.75 g/mol. Its IUPAC name is 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
PubChem CID102883883
Molecular FormulaC11H13ClN2O4S
Molecular Weight304.75 g/mol
Exact Mass304.03
IUPAC Name6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C11H13ClN2O4S/c1-7-6-19(17,18)5-4-14(7)10-8(11(15)16)2-3-9(12)13-10/h2-3,7H,4-6H2,1H3,(H,15,16)
InChIKeyPSLRLOQAOAQMGC-UHFFFAOYSA-N
XLogP1.06
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.75
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
6-chloro-2-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 63376481
6-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380421
1-[2-chloro-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanone
CID 102883913
6-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-carboxylic acid
CID 79170050
2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102883872
5-fluoro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)benzoic acid
CID 102884312
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinazolin-2-amine
CID 102887639
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-2-carboxylic acid
CID 102883871
6-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63380066

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid (CID 102883883) is 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid is CC1CS(=O)(=O)CCN1c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid?
The InChIKey is PSLRLOQAOAQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4S/c1-7-6-19(17,18)5-4-14(7)10-8(11(15)16)2-3-9(12)13-10/h2-3,7H,4-6H2,1H3,(H,15,16).
What are the key properties of 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid?
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid has a molecular weight of 304.75 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 102883883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).