2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine

C7H10F3N3 — CID 154318582

IUPAC2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
SMILESNC1=CNC(N)(CC(F)(F)F)C=C1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)4-6(12)2-1-5(11)3-13-6/h1-3,13H,4,11-12H2
InChIKeyLSCYFJFVUDSUEQ-UHFFFAOYSA-N
MW193.17 g/mol
LogP0.55
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine

2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine (PubChem CID 154318582) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
PubChem CID154318582
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
SMILESNC1=CNC(N)(CC(F)(F)F)C=C1
InChIInChI=1S/C7H10F3N3/c8-7(9,10)4-6(12)2-1-5(11)3-13-6/h1-3,13H,4,11-12H2
InChIKeyLSCYFJFVUDSUEQ-UHFFFAOYSA-N
XLogP0.55
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine (CID 154318582) is 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine is NC1=CNC(N)(CC(F)(F)F)C=C1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
The InChIKey is LSCYFJFVUDSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c8-7(9,10)4-6(12)2-1-5(11)3-13-6/h1-3,13H,4,11-12H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine?
2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine has a molecular weight of 193.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine is sourced from PubChem (CID 154318582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).