3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine

C8H9Cl2F3N4S — CID 106434145

IUPAC3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
SMILESNNc1nc(NCCSC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2F3N4S/c9-4-3-5(10)7(17-14)16-6(4)15-1-2-18-8(11,12)13/h3H,1-2,14H2,(H2,15,16,17)
InChIKeyMNAQCUOUDRLFRY-UHFFFAOYSA-N
MW321.16 g/mol
LogP3.34
Rot. Bonds5

About 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine

3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine (PubChem CID 106434145) has the molecular formula C8H9Cl2F3N4S and a molecular weight of 321.16 g/mol. Its IUPAC name is 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
PubChem CID106434145
Molecular FormulaC8H9Cl2F3N4S
Molecular Weight321.16 g/mol
Exact Mass319.99
IUPAC Name3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine
SMILESNNc1nc(NCCSC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C8H9Cl2F3N4S/c9-4-3-5(10)7(17-14)16-6(4)15-1-2-18-8(11,12)13/h3H,1-2,14H2,(H2,15,16,17)
InChIKeyMNAQCUOUDRLFRY-UHFFFAOYSA-N
XLogP3.34
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine (CID 106434145) is 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine is NNc1nc(NCCSC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
The InChIKey is MNAQCUOUDRLFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F3N4S/c9-4-3-5(10)7(17-14)16-6(4)15-1-2-18-8(11,12)13/h3H,1-2,14H2,(H2,15,16,17).
What are the key properties of 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine?
3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine has a molecular weight of 321.16 g/mol, XLogP of 3.34, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-hydrazinyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106434145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).