6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile

C15H13ClN2S — CID 46265751

IUPAC6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1nc(-c2ccc(Cl)cc2)ccc1C#N
InChIInChI=1S/C15H13ClN2S/c1-2-9-19-15-12(10-17)5-8-14(18-15)11-3-6-13(16)7-4-11/h3-8H,2,9H2,1H3
InChIKeyKMMHCZINPWXTEQ-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.78
Rot. Bonds4

About 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile

6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile (PubChem CID 46265751) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
PubChem CID46265751
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile
SMILESCCCSc1nc(-c2ccc(Cl)cc2)ccc1C#N
InChIInChI=1S/C15H13ClN2S/c1-2-9-19-15-12(10-17)5-8-14(18-15)11-3-6-13(16)7-4-11/h3-8H,2,9H2,1H3
InChIKeyKMMHCZINPWXTEQ-UHFFFAOYSA-N
XLogP4.78
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23945159
2-ethylsulfanyl-6-phenylpyridine-3-carbonitrile
CID 791804
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62197446
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
6-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 2765236
3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 23973384
6-phenyl-2-[(1S)-1-phenylethyl]sulfanylpyridine-3-carbonitrile
CID 2216887
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861496
3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25047429
6-(4-fluorophenyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 2765290

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile (CID 46265751) is 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile is CCCSc1nc(-c2ccc(Cl)cc2)ccc1C#N.
What is the InChIKey of 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile?
The InChIKey is KMMHCZINPWXTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-2-9-19-15-12(10-17)5-8-14(18-15)11-3-6-13(16)7-4-11/h3-8H,2,9H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile?
6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile has a molecular weight of 288.80 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-propylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 46265751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).