3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile

C13H11N3S — CID 102924859

IUPAC3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile
SMILESCc1cc(C)nc(Sc2cnccc2C#N)c1
InChIInChI=1S/C13H11N3S/c1-9-5-10(2)16-13(6-9)17-12-8-15-4-3-11(12)7-14/h3-6,8H,1-2H3
InChIKeyQVIUPAQEDPDAJN-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.12
Rot. Bonds2

About 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile

3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile (PubChem CID 102924859) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile
PubChem CID102924859
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile
SMILESCc1cc(C)nc(Sc2cnccc2C#N)c1
InChIInChI=1S/C13H11N3S/c1-9-5-10(2)16-13(6-9)17-12-8-15-4-3-11(12)7-14/h3-6,8H,1-2H3
InChIKeyQVIUPAQEDPDAJN-UHFFFAOYSA-N
XLogP3.12
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzonitrile
CID 102924874
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluorobenzonitrile
CID 102924863
3-(4-methylphenyl)sulfanylpyridine-4-carbonitrile
CID 1476752
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]isoquinolin-8-amine
CID 102924675
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
3-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102925985
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-methylbenzonitrile
CID 62305307
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzaldehyde
CID 102926074
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102924507
2-[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylphenyl]ethanamine
CID 102926269
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 62112470

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile?
The IUPAC name of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile (CID 102924859) is 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile is Cc1cc(C)nc(Sc2cnccc2C#N)c1.
What is the InChIKey of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile?
The InChIKey is QVIUPAQEDPDAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-9-5-10(2)16-13(6-9)17-12-8-15-4-3-11(12)7-14/h3-6,8H,1-2H3.
What are the key properties of 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile?
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile has a molecular weight of 241.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyridine-4-carbonitrile is sourced from PubChem (CID 102924859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).