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

C7H6ClF3N2O — CID 154644358

IUPAC2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine
SMILESNc1ccnc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-6-5(4(12)1-2-13-6)14-3-7(9,10)11/h1-2H,3H2,(H2,12,13)
InChIKeyPVSQTBUREAWIMV-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.26
Rot. Bonds2

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

2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine (PubChem CID 154644358) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine
PubChem CID154644358
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine
SMILESNc1ccnc(Cl)c1OCC(F)(F)F
InChIInChI=1S/C7H6ClF3N2O/c8-6-5(4(12)1-2-13-6)14-3-7(9,10)11/h1-2H,3H2,(H2,12,13)
InChIKeyPVSQTBUREAWIMV-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 ≤ 500226.58
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine?
The IUPAC name of 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine (CID 154644358) is 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine.
What is the SMILES notation for 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine?
The canonical SMILES for 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine is Nc1ccnc(Cl)c1OCC(F)(F)F.
What is the InChIKey of 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine?
The InChIKey is PVSQTBUREAWIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-6-5(4(12)1-2-13-6)14-3-7(9,10)11/h1-2H,3H2,(H2,12,13).
What are the key properties of 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine?
2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine has a molecular weight of 226.58 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 2-chloro-3-(2,2,2-trifluoroethoxy)pyridin-4-amine is sourced from PubChem (CID 154644358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).