2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile

C11H9Cl2N3S — CID 154181869

IUPAC2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)CSc1c(C#N)c(Cl)nc(Cl)c1C#N
InChIInChI=1S/C11H9Cl2N3S/c1-6(2)5-17-9-7(3-14)10(12)16-11(13)8(9)4-15/h6H,5H2,1-2H3
InChIKeyYRHAUWADDGHHIU-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.88
Rot. Bonds3

About 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile

2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 154181869) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID154181869
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)CSc1c(C#N)c(Cl)nc(Cl)c1C#N
InChIInChI=1S/C11H9Cl2N3S/c1-6(2)5-17-9-7(3-14)10(12)16-11(13)8(9)4-15/h6H,5H2,1-2H3
InChIKeyYRHAUWADDGHHIU-UHFFFAOYSA-N
XLogP3.88
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-(2-methylpropylsulfanyl)-1,2-thiazole-4-carbonitrile
CID 130685863
2,4,6-trichloropyridine-3,5-dicarbonitrile
CID 15206362
2,5-dichloro-3,6-bis(propan-2-ylsulfanyl)pyridine-4-carbonitrile
CID 616888
3-chloro-5-methyl-1H-pyrazole-4-carbonitrile
CID 69012503
2,6-dichloro-5-(2-chloroethyl)-4-methylpyridine-3-carbonitrile
CID 59311782
6-(aminomethyl)-2-chloro-4-methylpyridine-3-carbonitrile
CID 58106161
2,4-bis(ethylsulfanyl)-6-(2-methylpropylsulfanyl)-1,3,5-triazine
CID 58689493
4-chloro-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonitrile
CID 137030345
4-amino-6-chloro-2-(propan-2-ylamino)pyrimidine-5-carbonitrile
CID 20510226
2,5-dichloro-4-methyl-6-propan-2-yloxypyridine-3-carbonitrile
CID 86241914
4-anilino-2-(2-methylpropylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
CID 167713852
(4,6-dichloro-5-cyanopyrimidin-2-yl) methanesulfonate
CID 122590239

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile (CID 154181869) is 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile is CC(C)CSc1c(C#N)c(Cl)nc(Cl)c1C#N.
What is the InChIKey of 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is YRHAUWADDGHHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c1-6(2)5-17-9-7(3-14)10(12)16-11(13)8(9)4-15/h6H,5H2,1-2H3.
What are the key properties of 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile?
2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 286.19 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(2-methylpropylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 154181869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).