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

C13H9Cl2F3N2O — CID 139369764

IUPAC5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESNc1cc(OCC(F)(F)F)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C13H9Cl2F3N2O/c14-9-3-1-2-7(12(9)15)8-5-20-11(19)4-10(8)21-6-13(16,17)18/h1-5H,6H2,(H2,19,20)
InChIKeyVAUKXPHLCWEPBD-UHFFFAOYSA-N
MW337.13 g/mol
LogP4.58
Rot. Bonds3

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

5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine (PubChem CID 139369764) has the molecular formula C13H9Cl2F3N2O and a molecular weight of 337.13 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine
PubChem CID139369764
Molecular FormulaC13H9Cl2F3N2O
Molecular Weight337.13 g/mol
Exact Mass336.00
IUPAC Name5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine
SMILESNc1cc(OCC(F)(F)F)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C13H9Cl2F3N2O/c14-9-3-1-2-7(12(9)15)8-5-20-11(19)4-10(8)21-6-13(16,17)18/h1-5H,6H2,(H2,19,20)
InChIKeyVAUKXPHLCWEPBD-UHFFFAOYSA-N
XLogP4.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The IUPAC name of 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine (CID 139369764) is 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The canonical SMILES for 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine is Nc1cc(OCC(F)(F)F)c(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine?
The InChIKey is VAUKXPHLCWEPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O/c14-9-3-1-2-7(12(9)15)8-5-20-11(19)4-10(8)21-6-13(16,17)18/h1-5H,6H2,(H2,19,20).
What are the key properties of 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine?
5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine has a molecular weight of 337.13 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine is sourced from PubChem (CID 139369764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).