3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile

C11H14ClN3S — CID 133327421

IUPAC3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile
SMILESCSC(C)(C)CNc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C11H14ClN3S/c1-11(2,16-3)7-14-10-5-4-8(12)9(6-13)15-10/h4-5H,7H2,1-3H3,(H,14,15)
InChIKeySWFLXUQLJSZQGN-UHFFFAOYSA-N
MW255.77 g/mol
LogP3.16
Rot. Bonds4

About 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile

3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile (PubChem CID 133327421) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile
PubChem CID133327421
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC Name3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile
SMILESCSC(C)(C)CNc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C11H14ClN3S/c1-11(2,16-3)7-14-10-5-4-8(12)9(6-13)15-10/h4-5H,7H2,1-3H3,(H,14,15)
InChIKeySWFLXUQLJSZQGN-UHFFFAOYSA-N
XLogP3.16
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile (CID 133327421) is 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile is CSC(C)(C)CNc1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile?
The InChIKey is SWFLXUQLJSZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-11(2,16-3)7-14-10-5-4-8(12)9(6-13)15-10/h4-5H,7H2,1-3H3,(H,14,15).
What are the key properties of 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile?
3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile has a molecular weight of 255.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133327421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).