4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol

C10H11BrF4N2O — CID 123881675

IUPAC4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol
SMILESCC(N)(CC(O)C(F)(F)F)c1nc(Br)ccc1F
InChIInChI=1S/C10H11BrF4N2O/c1-9(16,4-6(18)10(13,14)15)8-5(12)2-3-7(11)17-8/h2-3,6,18H,4,16H2,1H3
InChIKeyHWELJOYJHPJZHZ-UHFFFAOYSA-N
MW331.11 g/mol
LogP2.47
Rot. Bonds3

About 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol

4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol (PubChem CID 123881675) has the molecular formula C10H11BrF4N2O and a molecular weight of 331.11 g/mol. Its IUPAC name is 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol
PubChem CID123881675
Molecular FormulaC10H11BrF4N2O
Molecular Weight331.11 g/mol
Exact Mass330.00
IUPAC Name4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol
SMILESCC(N)(CC(O)C(F)(F)F)c1nc(Br)ccc1F
InChIInChI=1S/C10H11BrF4N2O/c1-9(16,4-6(18)10(13,14)15)8-5(12)2-3-7(11)17-8/h2-3,6,18H,4,16H2,1H3
InChIKeyHWELJOYJHPJZHZ-UHFFFAOYSA-N
XLogP2.47
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol (CID 123881675) is 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol is CC(N)(CC(O)C(F)(F)F)c1nc(Br)ccc1F.
What is the InChIKey of 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is HWELJOYJHPJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF4N2O/c1-9(16,4-6(18)10(13,14)15)8-5(12)2-3-7(11)17-8/h2-3,6,18H,4,16H2,1H3.
What are the key properties of 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol?
4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 331.11 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(6-bromo-3-fluoro-2-pyridinyl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 123881675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).