6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C10H14F3N3O — CID 43261090

IUPAC6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCOc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C10H14F3N3O/c1-2-5-17-9-7(14)3-4-8(16-9)15-6-10(11,12)13/h3-4H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyKNUDOUHLEZVASK-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.43
Rot. Bonds5

About 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 43261090) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID43261090
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCOc1nc(NCC(F)(F)F)ccc1N
InChIInChI=1S/C10H14F3N3O/c1-2-5-17-9-7(14)3-4-8(16-9)15-6-10(11,12)13/h3-4H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyKNUDOUHLEZVASK-UHFFFAOYSA-N
XLogP2.43
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 43261090) is 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCCOc1nc(NCC(F)(F)F)ccc1N.
What is the InChIKey of 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is KNUDOUHLEZVASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-5-17-9-7(14)3-4-8(16-9)15-6-10(11,12)13/h3-4H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 249.24 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).