3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C11H11ClN2O3S — CID 63791784

IUPAC3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H11ClN2O3S/c1-6-14(8(5-18-6)11(16)17)10(15)7-3-2-4-9(12)13-7/h2-4,6,8H,5H2,1H3,(H,16,17)
InChIKeyNFKMEZCXUJXETB-UHFFFAOYSA-N
MW286.74 g/mol
LogP1.72
Rot. Bonds2

About 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791784) has the molecular formula C11H11ClN2O3S and a molecular weight of 286.74 g/mol. Its IUPAC name is 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791784
Molecular FormulaC11H11ClN2O3S
Molecular Weight286.74 g/mol
Exact Mass286.02
IUPAC Name3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H11ClN2O3S/c1-6-14(8(5-18-6)11(16)17)10(15)7-3-2-4-9(12)13-7/h2-4,6,8H,5H2,1H3,(H,16,17)
InChIKeyNFKMEZCXUJXETB-UHFFFAOYSA-N
XLogP1.72
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.74
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloropyridine-2-carbonyl)-2-cyclopropyl-1,3-thiazolidine-4-carboxylic acid
CID 63779841
3-(6-chloropyridine-2-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
CID 63792745
3-(2,4-dichlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791942
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661
2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790565
3-(4-chloro-2-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791065
3-(2-chloro-4-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 106860578
3-(4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791430
3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793205
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
1-(6-chloropyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62241098
(6-chloro-2-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83137505

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63791784) is 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1cccc(Cl)n1.
What is the InChIKey of 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is NFKMEZCXUJXETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3S/c1-6-14(8(5-18-6)11(16)17)10(15)7-3-2-4-9(12)13-7/h2-4,6,8H,5H2,1H3,(H,16,17).
What are the key properties of 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.74 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).