3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine

C12H10Cl2N2S — CID 150221933

IUPAC3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine
SMILESCc1nccc(Sc2ccnc(C)c2Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2S/c1-7-11(13)9(3-5-15-7)17-10-4-6-16-8(2)12(10)14/h3-6H,1-2H3
InChIKeyFTRBBACXLPXQEZ-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.55
Rot. Bonds2

About 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine

3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine (PubChem CID 150221933) has the molecular formula C12H10Cl2N2S and a molecular weight of 285.20 g/mol. Its IUPAC name is 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine.

Molecular Properties

Compound Name3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine
PubChem CID150221933
Molecular FormulaC12H10Cl2N2S
Molecular Weight285.20 g/mol
Exact Mass283.99
IUPAC Name3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine
SMILESCc1nccc(Sc2ccnc(C)c2Cl)c1Cl
InChIInChI=1S/C12H10Cl2N2S/c1-7-11(13)9(3-5-15-7)17-10-4-6-16-8(2)12(10)14/h3-6H,1-2H3
InChIKeyFTRBBACXLPXQEZ-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine?
The IUPAC name of 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine (CID 150221933) is 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine.
What is the SMILES notation for 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine?
The canonical SMILES for 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine is Cc1nccc(Sc2ccnc(C)c2Cl)c1Cl.
What is the InChIKey of 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine?
The InChIKey is FTRBBACXLPXQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2S/c1-7-11(13)9(3-5-15-7)17-10-4-6-16-8(2)12(10)14/h3-6H,1-2H3.
What are the key properties of 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine?
3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine has a molecular weight of 285.20 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]-2-methylpyridine is sourced from PubChem (CID 150221933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).