6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine

C11H5Cl5N2S — CID 56697110

IUPAC6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1
InChIInChI=1S/C11H5Cl5N2S/c12-6-7(13)9(15)11(10(16)8(6)14)19-5-2-1-4(17)3-18-5/h1-3H,17H2
InChIKeyZEGJRIBIKCCGHB-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.08
Rot. Bonds2

About 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine

6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine (PubChem CID 56697110) has the molecular formula C11H5Cl5N2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine
PubChem CID56697110
Molecular FormulaC11H5Cl5N2S
Molecular Weight374.51 g/mol
Exact Mass371.86
IUPAC Name6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine
SMILESNc1ccc(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1
InChIInChI=1S/C11H5Cl5N2S/c12-6-7(13)9(15)11(10(16)8(6)14)19-5-2-1-4(17)3-18-5/h1-3H,17H2
InChIKeyZEGJRIBIKCCGHB-UHFFFAOYSA-N
XLogP6.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-methylsulfanylpyridin-3-amine
CID 10261179
6-hydroxysulfanylpyridin-3-amine
CID 142417119
6-(3,4-difluorophenyl)sulfanylpyridin-3-amine
CID 43345149
6-(2-methylphenyl)sulfanylpyridin-3-amine
CID 901270
6-(4-methylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 62267843
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256
6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
CID 62409540
6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
CID 43301295
6-(2-aminopropylsulfanyl)pyridin-3-amine
CID 102689492
6-(oxolan-3-ylsulfanyl)pyridin-3-amine
CID 63558770
6-[(2-chloro-5-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 102616314
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine?
The IUPAC name of 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine (CID 56697110) is 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine is Nc1ccc(Sc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc1.
What is the InChIKey of 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine?
The InChIKey is ZEGJRIBIKCCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl5N2S/c12-6-7(13)9(15)11(10(16)8(6)14)19-5-2-1-4(17)3-18-5/h1-3H,17H2.
What are the key properties of 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine?
6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine has a molecular weight of 374.51 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4,5,6-pentachlorophenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 56697110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).