6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine

C13H12Cl2N2OS — CID 43301295

IUPAC6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCCOc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H12Cl2N2OS/c14-10-2-1-3-11(15)13(10)18-6-7-19-12-5-4-9(16)8-17-12/h1-5,8H,6-7,16H2
InChIKeyZWINCIWMTPECOB-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.14
Rot. Bonds5

About 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine

6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine (PubChem CID 43301295) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
PubChem CID43301295
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
SMILESNc1ccc(SCCOc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H12Cl2N2OS/c14-10-2-1-3-11(15)13(10)18-6-7-19-12-5-4-9(16)8-17-12/h1-5,8H,6-7,16H2
InChIKeyZWINCIWMTPECOB-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2,6-dichlorophenoxy)ethylsulfanyl]aniline
CID 39456185
3-[(5-amino-2-pyridinyl)sulfanyl]-N-(2,6-dichlorophenyl)propanamide
CID 43300903
2-[2-[(5-amino-2-pyridinyl)sulfanyl]ethyl]-3-chlorobenzoic acid
CID 69069332
5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 30043620
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
6-(2-fluoroethylsulfanyl)pyridin-3-amine
CID 80694256
3-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 4849812
6-[2-(3-methylbutoxy)ethylsulfanyl]pyridin-3-amine
CID 61484590
5-chloro-2-(2-phenoxyethylsulfanyl)pyridine
CID 112815251
6-octylsulfanylpyridin-3-amine
CID 43301414
[5-[2-(2,6-dichlorophenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315151
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine (CID 43301295) is 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine is Nc1ccc(SCCOc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
The InChIKey is ZWINCIWMTPECOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c14-10-2-1-3-11(15)13(10)18-6-7-19-12-5-4-9(16)8-17-12/h1-5,8H,6-7,16H2.
What are the key properties of 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine has a molecular weight of 315.23 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,6-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43301295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).