5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine

C16H10Cl2N2S2 — CID 20510885

IUPAC5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine
SMILESClc1ccc(Sc2ccccc2Sc2ccc(Cl)cn2)nc1
InChIInChI=1S/C16H10Cl2N2S2/c17-11-5-7-15(19-9-11)21-13-3-1-2-4-14(13)22-16-8-6-12(18)10-20-16/h1-10H
InChIKeyDUVUWAWUQUVVHR-UHFFFAOYSA-N
MW365.31 g/mol
LogP6.09
Rot. Bonds4

About 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine

5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine (PubChem CID 20510885) has the molecular formula C16H10Cl2N2S2 and a molecular weight of 365.31 g/mol. Its IUPAC name is 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine.

Molecular Properties

Compound Name5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine
PubChem CID20510885
Molecular FormulaC16H10Cl2N2S2
Molecular Weight365.31 g/mol
Exact Mass363.97
IUPAC Name5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine
SMILESClc1ccc(Sc2ccccc2Sc2ccc(Cl)cn2)nc1
InChIInChI=1S/C16H10Cl2N2S2/c17-11-5-7-15(19-9-11)21-13-3-1-2-4-14(13)22-16-8-6-12(18)10-20-16/h1-10H
InChIKeyDUVUWAWUQUVVHR-UHFFFAOYSA-N
XLogP6.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.31
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine?
The IUPAC name of 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine (CID 20510885) is 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine.
What is the SMILES notation for 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine?
The canonical SMILES for 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine is Clc1ccc(Sc2ccccc2Sc2ccc(Cl)cn2)nc1.
What is the InChIKey of 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine?
The InChIKey is DUVUWAWUQUVVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2S2/c17-11-5-7-15(19-9-11)21-13-3-1-2-4-14(13)22-16-8-6-12(18)10-20-16/h1-10H.
What are the key properties of 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine?
5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine has a molecular weight of 365.31 g/mol, XLogP of 6.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]sulfanylpyridine is sourced from PubChem (CID 20510885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).