2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H4BrF6NO — CID 19426938

IUPAC2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cccc(Br)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4BrF6NO/c9-5-3-1-2-4(16-5)6(17,7(10,11)12)8(13,14)15/h1-3,17H
InChIKeyFVAAOCYFPRQZNQ-UHFFFAOYSA-N
MW324.02 g/mol
LogP3.16
Rot. Bonds1

About 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 19426938) has the molecular formula C8H4BrF6NO and a molecular weight of 324.02 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID19426938
Molecular FormulaC8H4BrF6NO
Molecular Weight324.02 g/mol
Exact Mass322.94
IUPAC Name2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(c1cccc(Br)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4BrF6NO/c9-5-3-1-2-4(16-5)6(17,7(10,11)12)8(13,14)15/h1-3,17H
InChIKeyFVAAOCYFPRQZNQ-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.02
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 19426938) is 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(c1cccc(Br)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FVAAOCYFPRQZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF6NO/c9-5-3-1-2-4(16-5)6(17,7(10,11)12)8(13,14)15/h1-3,17H.
What are the key properties of 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 324.02 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 19426938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).