2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid

C10H13ClN2O4S — CID 79858550

IUPAC2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCS(C)(=O)=O)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H13ClN2O4S/c1-13(3-4-18(2,16)17)9-6-7(10(14)15)5-8(11)12-9/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyVBDZZMYTGURSSC-UHFFFAOYSA-N
MW292.74 g/mol
LogP0.91
Rot. Bonds5

About 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid (PubChem CID 79858550) has the molecular formula C10H13ClN2O4S and a molecular weight of 292.74 g/mol. Its IUPAC name is 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
PubChem CID79858550
Molecular FormulaC10H13ClN2O4S
Molecular Weight292.74 g/mol
Exact Mass292.03
IUPAC Name2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
SMILESCN(CCS(C)(=O)=O)c1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C10H13ClN2O4S/c1-13(3-4-18(2,16)17)9-6-7(10(14)15)5-8(11)12-9/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyVBDZZMYTGURSSC-UHFFFAOYSA-N
XLogP0.91
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 50.91
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

2-Chloro-6-(dimethylamino)isonicotinic acid
CID 21430354
2-Chloro-6-(diethylamino)pyridine-4-carboxylic acid
CID 236989
2-[2,2-Difluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59651094
2-[2,2-Difluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59651114
2-[2-Fluoroethyl-[(2-methylcyclopropyl)methyl]amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxylic acid
CID 59651118
3-Chloro-2-fluoro-6-pyrrolidin-1-ylpyridine-4-carboxylic acid
CID 139405230
6-(Azetidin-1-yl)-3-chloro-2-fluoropyridine-4-carboxylic acid
CID 139405296
2-Chloro-6-[fluoro(methyl)amino]pyridine-4-carboxylic acid
CID 145648262
Methyl 2-(1,1-dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylate
CID 169313742
2-(1,1-Dioxo-1,4-thiazinan-4-yl)-6-fluoropyridine-4-carboxylic acid
CID 169313769
Isonicotinic acid,6-bis(diethylamino)-
CID 236982
2-Chloro-6-(2,2,2-trifluoroethylamino)pyridine-4-carboxylic acid
CID 43166610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid (CID 79858550) is 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid is CN(CCS(C)(=O)=O)c1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is VBDZZMYTGURSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O4S/c1-13(3-4-18(2,16)17)9-6-7(10(14)15)5-8(11)12-9/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 292.74 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 79858550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).