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

C10H12ClF3N2O2 — CID 103147434

IUPAC1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESNc1ncc(Cl)cc1C(O)CCOCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2/c11-6-3-7(9(15)16-4-6)8(17)1-2-18-5-10(12,13)14/h3-4,8,17H,1-2,5H2,(H2,15,16)
InChIKeyMBYMFMHQGFPOEV-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.32
Rot. Bonds5

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

1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 103147434) has the molecular formula C10H12ClF3N2O2 and a molecular weight of 284.67 g/mol. Its IUPAC name is 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID103147434
Molecular FormulaC10H12ClF3N2O2
Molecular Weight284.67 g/mol
Exact Mass284.05
IUPAC Name1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESNc1ncc(Cl)cc1C(O)CCOCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O2/c11-6-3-7(9(15)16-4-6)8(17)1-2-18-5-10(12,13)14/h3-4,8,17H,1-2,5H2,(H2,15,16)
InChIKeyMBYMFMHQGFPOEV-UHFFFAOYSA-N
XLogP2.32
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6-Amino-5-chloropyridin-3-yl)methanol
CID 17883579
6-chloro-N'-hydroxy-5-(2,2,2-trifluoro-1,1-dihydroxyethyl)pyridine-3-carboximidamide
CID 146162619
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
1-(2-Chloro-5-ethylpyridin-3-yl)-2,2,2-trifluoroethanol
CID 59765460
(2-Amino-5-chloropyridin-3-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 64133498
3-Pyridinemethanol, 5-chloro-alpha-(trifluoromethyl)-
CID 67402815
(2-Amino-4-(4-chloro-2-fluorophenyl)pyridin-3-yl)methanol
CID 86695915
(1S)-1-(6-chloro-5-fluoro-3-pyridinyl)-3-(2-hydroxypropan-2-yloxy)propan-1-ol
CID 88875845
1-[2-Amino-4-(4-chloro-2-fluorophenyl)-3-pyridinyl]ethanol
CID 89791088
(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol
CID 155461771
1-(2,5-Dichloro-3-pyridinyl)-2,2,2-trifluoroethanol
CID 162021036

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 103147434) is 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is Nc1ncc(Cl)cc1C(O)CCOCC(F)(F)F.
What is the InChIKey of 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is MBYMFMHQGFPOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O2/c11-6-3-7(9(15)16-4-6)8(17)1-2-18-5-10(12,13)14/h3-4,8,17H,1-2,5H2,(H2,15,16).
What are the key properties of 1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(2-amino-5-chloro-3-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 284.67 g/mol, XLogP of 2.32, 5 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)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 103147434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).