5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine

C7H6ClF3N2O — CID 130520466

IUPAC5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESNc1cncc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-4-1-13-2-5(12)6(4)14-3-7(9,10)11/h1-2H,3,12H2
InChIKeySLTZLAKOQFOERI-UHFFFAOYSA-N
MW226.59 g/mol
LogP2.26
Rot. Bonds2

About 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine

5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 130520466) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.59 g/mol. Its IUPAC name is 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID130520466
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.59 g/mol
Exact Mass226.01
IUPAC Name5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESNc1cncc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-4-1-13-2-5(12)6(4)14-3-7(9,10)11/h1-2H,3,12H2
InChIKeySLTZLAKOQFOERI-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.59
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 130520466) is 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine is Nc1cncc(Cl)c1OCC(F)(F)F.
What is the InChIKey of 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is SLTZLAKOQFOERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-4-1-13-2-5(12)6(4)14-3-7(9,10)11/h1-2H,3,12H2.
What are the key properties of 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine?
5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 226.59 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 130520466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).