3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile

C13H8Cl2N2S — CID 107060790

IUPAC3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(SCc2ccccc2Cl)c1Cl
InChIInChI=1S/C13H8Cl2N2S/c14-11-4-2-1-3-10(11)8-18-13-12(15)9(7-16)5-6-17-13/h1-6H,8H2
InChIKeyQMJHMFDZGPRQNS-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.55
Rot. Bonds3

About 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile

3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile (PubChem CID 107060790) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
PubChem CID107060790
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(SCc2ccccc2Cl)c1Cl
InChIInChI=1S/C13H8Cl2N2S/c14-11-4-2-1-3-10(11)8-18-13-12(15)9(7-16)5-6-17-13/h1-6H,8H2
InChIKeyQMJHMFDZGPRQNS-UHFFFAOYSA-N
XLogP4.55
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine
CID 47152859
2-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]ethanesulfonamide
CID 107061618
3-[(3-chloro-4-cyano-2-pyridinyl)sulfanyl]propanoic acid
CID 107059253
4-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carbonitrile
CID 103825985
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
2-(2-bromophenyl)sulfanyl-3-chloropyridine-4-carbonitrile
CID 107060721
4-[(2-chlorophenyl)methylsulfanyl]-2-methylbenzonitrile
CID 103288473
3-chloro-2-(4-chlorophenyl)sulfanylpyridine-4-carbonitrile
CID 107060679
[3-chloro-2-[(2-methylphenyl)methylsulfanyl]-4-pyridinyl]methanamine
CID 107061189
3-amino-2-[(2-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816953
3-chloro-2-[(2-methylphenyl)methylsulfanyl]pyridine
CID 47129961
3-chloro-2-(2-chloroanilino)pyridine-4-carbonitrile
CID 107056789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile (CID 107060790) is 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile is N#Cc1ccnc(SCc2ccccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile?
The InChIKey is QMJHMFDZGPRQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c14-11-4-2-1-3-10(11)8-18-13-12(15)9(7-16)5-6-17-13/h1-6H,8H2.
What are the key properties of 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile?
3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile has a molecular weight of 295.19 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carbonitrile is sourced from PubChem (CID 107060790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).