2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol

C8H9BrFNO — CID 67295046

IUPAC2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ncc(Br)cc1F
InChIInChI=1S/C8H9BrFNO/c1-8(2,12)7-6(10)3-5(9)4-11-7/h3-4,12H,1-2H3
InChIKeyUTCCEFHCFDSTNH-UHFFFAOYSA-N
MW234.07 g/mol
LogP2.21
Rot. Bonds1

About 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol

2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol (PubChem CID 67295046) has the molecular formula C8H9BrFNO and a molecular weight of 234.07 g/mol. Its IUPAC name is 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol.

Molecular Properties

Compound Name2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol
PubChem CID67295046
Molecular FormulaC8H9BrFNO
Molecular Weight234.07 g/mol
Exact Mass232.99
IUPAC Name2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol
SMILESCC(C)(O)c1ncc(Br)cc1F
InChIInChI=1S/C8H9BrFNO/c1-8(2,12)7-6(10)3-5(9)4-11-7/h3-4,12H,1-2H3
InChIKeyUTCCEFHCFDSTNH-UHFFFAOYSA-N
XLogP2.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
The IUPAC name of 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol (CID 67295046) is 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol.
What is the SMILES notation for 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
The canonical SMILES for 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol is CC(C)(O)c1ncc(Br)cc1F.
What is the InChIKey of 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
The InChIKey is UTCCEFHCFDSTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNO/c1-8(2,12)7-6(10)3-5(9)4-11-7/h3-4,12H,1-2H3.
What are the key properties of 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol?
2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol has a molecular weight of 234.07 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-fluoro-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 67295046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).