3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile

C9H10ClN3OS — CID 107058420

IUPAC3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
SMILESCS(=O)CCNc1nccc(C#N)c1Cl
InChIInChI=1S/C9H10ClN3OS/c1-15(14)5-4-13-9-8(10)7(6-11)2-3-12-9/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeySDIFHOIQFFJVNJ-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.40
Rot. Bonds4

About 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile

3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile (PubChem CID 107058420) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
PubChem CID107058420
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
SMILESCS(=O)CCNc1nccc(C#N)c1Cl
InChIInChI=1S/C9H10ClN3OS/c1-15(14)5-4-13-9-8(10)7(6-11)2-3-12-9/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeySDIFHOIQFFJVNJ-UHFFFAOYSA-N
XLogP1.40
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061368
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
CID 106417648
3-chloro-2-(3-morpholin-4-ylpropylamino)pyridine-4-carbonitrile
CID 107056894
3-chloro-2-[2-[cyclopropyl(ethyl)amino]ethylamino]pyridine-4-carbonitrile
CID 114132665
3-chloro-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107056743
2-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 107056431
3-chloro-2-[2-(3-methylphenoxy)ethylamino]pyridine-4-carbonitrile
CID 107057390
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile (CID 107058420) is 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile is CS(=O)CCNc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile?
The InChIKey is SDIFHOIQFFJVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c1-15(14)5-4-13-9-8(10)7(6-11)2-3-12-9/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile?
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile has a molecular weight of 243.72 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107058420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).