4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine

C14H10N2S2 — CID 101211523

IUPAC4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine
SMILESC1=C(c2ccncc2)S/C(=C/c2ccncc2)S1
InChIInChI=1S/C14H10N2S2/c1-5-15-6-2-11(1)9-14-17-10-13(18-14)12-3-7-16-8-4-12/h1-10H/b14-9+
InChIKeyZKTNYEALSHOVAV-NTEUORMPSA-N
MW270.38 g/mol
LogP4.25
Rot. Bonds2

About 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine

4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine (PubChem CID 101211523) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine.

Molecular Properties

Compound Name4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine
PubChem CID101211523
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine
SMILESC1=C(c2ccncc2)S/C(=C/c2ccncc2)S1
InChIInChI=1S/C14H10N2S2/c1-5-15-6-2-11(1)9-14-17-10-13(18-14)12-3-7-16-8-4-12/h1-10H/b14-9+
InChIKeyZKTNYEALSHOVAV-NTEUORMPSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine?
The IUPAC name of 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine (CID 101211523) is 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine.
What is the SMILES notation for 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine?
The canonical SMILES for 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine is C1=C(c2ccncc2)S/C(=C/c2ccncc2)S1.
What is the InChIKey of 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine?
The InChIKey is ZKTNYEALSHOVAV-NTEUORMPSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-5-15-6-2-11(1)9-14-17-10-13(18-14)12-3-7-16-8-4-12/h1-10H/b14-9+.
What are the key properties of 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine?
4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine has a molecular weight of 270.38 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(4-pyridin-4-yl-1,3-dithiol-2-ylidene)methyl]pyridine is sourced from PubChem (CID 101211523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).