6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine

C11H14F3N3O — CID 106217282

IUPAC6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
SMILESCCOc1nc(NC2(C(F)(F)F)CC2)ccc1N
InChIInChI=1S/C11H14F3N3O/c1-2-18-9-7(15)3-4-8(16-9)17-10(5-6-10)11(12,13)14/h3-4H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyZDOACLKLNRRPIL-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.57
Rot. Bonds4

About 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine

6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine (PubChem CID 106217282) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
PubChem CID106217282
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
SMILESCCOc1nc(NC2(C(F)(F)F)CC2)ccc1N
InChIInChI=1S/C11H14F3N3O/c1-2-18-9-7(15)3-4-8(16-9)17-10(5-6-10)11(12,13)14/h3-4H,2,5-6,15H2,1H3,(H,16,17)
InChIKeyZDOACLKLNRRPIL-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine (CID 106217282) is 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine is CCOc1nc(NC2(C(F)(F)F)CC2)ccc1N.
What is the InChIKey of 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
The InChIKey is ZDOACLKLNRRPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-2-18-9-7(15)3-4-8(16-9)17-10(5-6-10)11(12,13)14/h3-4H,2,5-6,15H2,1H3,(H,16,17).
What are the key properties of 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine?
6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine has a molecular weight of 261.25 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine is sourced from PubChem (CID 106217282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).