2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile

C18H11Cl2N3S — CID 1036389

IUPAC2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2N3S/c19-15-5-3-14(16(20)8-15)11-24-18-12(9-21)4-6-17(23-18)13-2-1-7-22-10-13/h1-8,10H,11H2
InChIKeyGIFPQFCSKQJKRC-UHFFFAOYSA-N
MW372.28 g/mol
LogP5.61
Rot. Bonds4

About 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile

2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 1036389) has the molecular formula C18H11Cl2N3S and a molecular weight of 372.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID1036389
Molecular FormulaC18H11Cl2N3S
Molecular Weight372.28 g/mol
Exact Mass371.01
IUPAC Name2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H11Cl2N3S/c19-15-5-3-14(16(20)8-15)11-24-18-12(9-21)4-6-17(23-18)13-2-1-7-22-10-13/h1-8,10H,11H2
InChIKeyGIFPQFCSKQJKRC-UHFFFAOYSA-N
XLogP5.61
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.28
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile (CID 1036389) is 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile is N#Cc1ccc(-c2cccnc2)nc1SCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is GIFPQFCSKQJKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3S/c19-15-5-3-14(16(20)8-15)11-24-18-12(9-21)4-6-17(23-18)13-2-1-7-22-10-13/h1-8,10H,11H2.
What are the key properties of 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile?
2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 372.28 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 1036389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).