2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid

C11H15ClN2O3S — CID 106248046

IUPAC2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
SMILESCSCC(C)(O)CNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H15ClN2O3S/c1-11(17,6-18-2)5-13-9-4-7(10(15)16)3-8(12)14-9/h3-4,17H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNPADJVUXLKSYNT-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.96
Rot. Bonds6

About 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid

2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid (PubChem CID 106248046) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
PubChem CID106248046
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid
SMILESCSCC(C)(O)CNc1cc(C(=O)O)cc(Cl)n1
InChIInChI=1S/C11H15ClN2O3S/c1-11(17,6-18-2)5-13-9-4-7(10(15)16)3-8(12)14-9/h3-4,17H,5-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNPADJVUXLKSYNT-UHFFFAOYSA-N
XLogP1.96
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-chloro-2-phenylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248450
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 107257871
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617465
2-chloro-6-[3-(dimethylamino)propylamino]pyridine-4-carboxylic acid
CID 43166600
1-[(6-chloropyridazin-3-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246053
2-chloro-6-(2,4,4-trimethylpentan-2-ylamino)pyridine-4-carboxylic acid
CID 63538354
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
CID 43343670
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
1-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106248913
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid (CID 106248046) is 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid is CSCC(C)(O)CNc1cc(C(=O)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is NPADJVUXLKSYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-11(17,6-18-2)5-13-9-4-7(10(15)16)3-8(12)14-9/h3-4,17H,5-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid?
2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 290.77 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106248046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).