1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

C10H15ClN2OS — CID 107257871

IUPAC1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cccc(Cl)n1
InChIInChI=1S/C10H15ClN2OS/c1-10(14,7-15-2)6-12-9-5-3-4-8(11)13-9/h3-5,14H,6-7H2,1-2H3,(H,12,13)
InChIKeyIUEVAMLWSZOPTJ-UHFFFAOYSA-N
MW246.76 g/mol
LogP2.26
Rot. Bonds5

About 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol

1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (PubChem CID 107257871) has the molecular formula C10H15ClN2OS and a molecular weight of 246.76 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
PubChem CID107257871
Molecular FormulaC10H15ClN2OS
Molecular Weight246.76 g/mol
Exact Mass246.06
IUPAC Name1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
SMILESCSCC(C)(O)CNc1cccc(Cl)n1
InChIInChI=1S/C10H15ClN2OS/c1-10(14,7-15-2)6-12-9-5-3-4-8(11)13-9/h3-5,14H,6-7H2,1-2H3,(H,12,13)
InChIKeyIUEVAMLWSZOPTJ-UHFFFAOYSA-N
XLogP2.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol (CID 107257871) is 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is CSCC(C)(O)CNc1cccc(Cl)n1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
The InChIKey is IUEVAMLWSZOPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2OS/c1-10(14,7-15-2)6-12-9-5-3-4-8(11)13-9/h3-5,14H,6-7H2,1-2H3,(H,12,13).
What are the key properties of 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol?
1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol has a molecular weight of 246.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol is sourced from PubChem (CID 107257871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).