6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine

C10H14F3N3O2 — CID 63827810

IUPAC6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine
SMILESCOc1nc(NCCOCC(F)(F)F)ccc1N
InChIInChI=1S/C10H14F3N3O2/c1-17-9-7(14)2-3-8(16-9)15-4-5-18-6-10(11,12)13/h2-3H,4-6,14H2,1H3,(H,15,16)
InChIKeyXXGXPINOOIRORM-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.66
Rot. Bonds6

About 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine

6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine (PubChem CID 63827810) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine
PubChem CID63827810
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine
SMILESCOc1nc(NCCOCC(F)(F)F)ccc1N
InChIInChI=1S/C10H14F3N3O2/c1-17-9-7(14)2-3-8(16-9)15-4-5-18-6-10(11,12)13/h2-3H,4-6,14H2,1H3,(H,15,16)
InChIKeyXXGXPINOOIRORM-UHFFFAOYSA-N
XLogP1.66
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine (CID 63827810) is 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine is COc1nc(NCCOCC(F)(F)F)ccc1N.
What is the InChIKey of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine?
The InChIKey is XXGXPINOOIRORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-17-9-7(14)2-3-8(16-9)15-4-5-18-6-10(11,12)13/h2-3H,4-6,14H2,1H3,(H,15,16).
What are the key properties of 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine?
6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine has a molecular weight of 265.23 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-2,5-diamine is sourced from PubChem (CID 63827810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).