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

C13H10Cl3F3N2O — CID 153332328

IUPAC5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(OCC(F)(F)F)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C13H9Cl2F3N2O.ClH/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);1H
InChIKeyMGQLOHQSQKMAMK-UHFFFAOYSA-N
MW373.59 g/mol
LogP5.00
Rot. Bonds3

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

5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride (PubChem CID 153332328) has the molecular formula C13H10Cl3F3N2O and a molecular weight of 373.59 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
PubChem CID153332328
Molecular FormulaC13H10Cl3F3N2O
Molecular Weight373.59 g/mol
Exact Mass371.98
IUPAC Name5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(OCC(F)(F)F)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C13H9Cl2F3N2O.ClH/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);1H
InChIKeyMGQLOHQSQKMAMK-UHFFFAOYSA-N
XLogP5.00
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.59
LogP ≤ 55.00
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;hydrochloride?
The IUPAC name of 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride (CID 153332328) is 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is MGQLOHQSQKMAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2F3N2O.ClH/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);1H.
What are the key properties of 5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride?
5-(2,3-dichlorophenyl)-4-(2,2,2-trifluoroethoxy)pyridin-2-amine;hydrochloride has a molecular weight of 373.59 g/mol, XLogP of 5.00, 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;hydrochloride is sourced from PubChem (CID 153332328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).