1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol

C9H10ClF3N2O2 — CID 103473895

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESNc1ncc(Cl)cc1C(O)COCC(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2/c10-5-1-6(8(14)15-2-5)7(16)3-17-4-9(11,12)13/h1-2,7,16H,3-4H2,(H2,14,15)
InChIKeyLVNDUEYNDUYZDN-UHFFFAOYSA-N
MW270.64 g/mol
LogP1.93
Rot. Bonds4

About 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103473895) has the molecular formula C9H10ClF3N2O2 and a molecular weight of 270.64 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103473895
Molecular FormulaC9H10ClF3N2O2
Molecular Weight270.64 g/mol
Exact Mass270.04
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESNc1ncc(Cl)cc1C(O)COCC(F)(F)F
InChIInChI=1S/C9H10ClF3N2O2/c10-5-1-6(8(14)15-2-5)7(16)3-17-4-9(11,12)13/h1-2,7,16H,3-4H2,(H2,14,15)
InChIKeyLVNDUEYNDUYZDN-UHFFFAOYSA-N
XLogP1.93
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.64
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinemethanol, 2-chloro-alpha-((2-(dimethylamino)ethoxy)methyl)-5-fluoro-6-(methylamino)-, monohydrochloride
CID 3072525
(6-Amino-5-chloropyridin-3-yl)methanol
CID 17883579
N-[5-chloro-3-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridin-2-yl]-2,2-dimethylpropanamide
CID 18187345
(2-Amino-5-chloropyridin-4-yl)(2,5-difluorophenyl)methanol
CID 23114782
(2-Amino-5-chloropyridin-3-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 64133498
3-Pyridinemethanol, 5-chloro-alpha-(trifluoromethyl)-
CID 67402815
(S)-1-(6-Chloro-5-fluoropyridin-3-yl)ethane-1,2-diol
CID 89310968
(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol
CID 155461771
(6-Amino-5-methanimidoyl-3-pyridinyl)-(3,3-difluorocyclobutyl)methanol
CID 172249911
1-(5-Chloro-3-pyridinyl)-2,2-difluoroethanol
CID 173304112
1-(2-Amino-3-pyridinyl)-3,3-difluoropropan-1-ol
CID 176212698
2-(2-Amino-5-chloro-3-pyridinyl)propan-2-ol
CID 15828190

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103473895) is 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol is Nc1ncc(Cl)cc1C(O)COCC(F)(F)F.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is LVNDUEYNDUYZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O2/c10-5-1-6(8(14)15-2-5)7(16)3-17-4-9(11,12)13/h1-2,7,16H,3-4H2,(H2,14,15).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 270.64 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-chloro-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103473895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).