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

C9H11Cl2F3N4O — CID 102762081

IUPAC3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESNNc1nc(NCCOCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2F3N4O/c10-5-3-6(11)8(18-15)17-7(5)16-1-2-19-4-9(12,13)14/h3H,1-2,4,15H2,(H2,16,17,18)
InChIKeyGIFPBUJQONOFGX-UHFFFAOYSA-N
MW319.11 g/mol
LogP2.66
Rot. Bonds6

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

3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (PubChem CID 102762081) has the molecular formula C9H11Cl2F3N4O and a molecular weight of 319.11 g/mol. Its IUPAC name is 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
PubChem CID102762081
Molecular FormulaC9H11Cl2F3N4O
Molecular Weight319.11 g/mol
Exact Mass318.03
IUPAC Name3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
SMILESNNc1nc(NCCOCC(F)(F)F)c(Cl)cc1Cl
InChIInChI=1S/C9H11Cl2F3N4O/c10-5-3-6(11)8(18-15)17-7(5)16-1-2-19-4-9(12,13)14/h3H,1-2,4,15H2,(H2,16,17,18)
InChIKeyGIFPBUJQONOFGX-UHFFFAOYSA-N
XLogP2.66
TPSA72.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 52.66
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-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine (CID 102762081) is 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is NNc1nc(NCCOCC(F)(F)F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
The InChIKey is GIFPBUJQONOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2F3N4O/c10-5-3-6(11)8(18-15)17-7(5)16-1-2-19-4-9(12,13)14/h3H,1-2,4,15H2,(H2,16,17,18).
What are the key properties of 3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine?
3,5-dichloro-6-hydrazinyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine has a molecular weight of 319.11 g/mol, XLogP of 2.66, 6 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-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine is sourced from PubChem (CID 102762081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).