(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol

C8H8BrF3N2O — CID 155461771

IUPAC(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol
SMILESNc1ncc([C@@H](O)CBr)cc1C(F)(F)F
InChIInChI=1S/C8H8BrF3N2O/c9-2-6(15)4-1-5(8(10,11)12)7(13)14-3-4/h1,3,6,15H,2H2,(H2,13,14)/t6-/m0/s1
InChIKeyNGWKVJFMFADCIJ-LURJTMIESA-N
MW285.06 g/mol
LogP2.11
Rot. Bonds2

About (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol

(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol (PubChem CID 155461771) has the molecular formula C8H8BrF3N2O and a molecular weight of 285.06 g/mol. Its IUPAC name is (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol.

Molecular Properties

Compound Name(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol
PubChem CID155461771
Molecular FormulaC8H8BrF3N2O
Molecular Weight285.06 g/mol
Exact Mass283.98
IUPAC Name(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol
SMILESNc1ncc([C@@H](O)CBr)cc1C(F)(F)F
InChIInChI=1S/C8H8BrF3N2O/c9-2-6(15)4-1-5(8(10,11)12)7(13)14-3-4/h1,3,6,15H,2H2,(H2,13,14)/t6-/m0/s1
InChIKeyNGWKVJFMFADCIJ-LURJTMIESA-N
XLogP2.11
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.06
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol?
The IUPAC name of (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol (CID 155461771) is (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol.
What is the SMILES notation for (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol?
The canonical SMILES for (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol is Nc1ncc([C@@H](O)CBr)cc1C(F)(F)F.
What is the InChIKey of (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol?
The InChIKey is NGWKVJFMFADCIJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H8BrF3N2O/c9-2-6(15)4-1-5(8(10,11)12)7(13)14-3-4/h1,3,6,15H,2H2,(H2,13,14)/t6-/m0/s1.
What are the key properties of (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol?
(1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol has a molecular weight of 285.06 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-bromoethanol is sourced from PubChem (CID 155461771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).