1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol

C15H16BrFN2O — CID 118431545

IUPAC1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(c1cncc(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C15H16BrFN2O/c1-14(2,3)15(20,10-6-12(17)9-18-7-10)13-5-4-11(16)8-19-13/h4-9,20H,1-3H3
InChIKeyOCXXBTRISVCZCN-UHFFFAOYSA-N
MW339.21 g/mol
LogP3.66
Rot. Bonds2

About 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol

1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol (PubChem CID 118431545) has the molecular formula C15H16BrFN2O and a molecular weight of 339.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol
PubChem CID118431545
Molecular FormulaC15H16BrFN2O
Molecular Weight339.21 g/mol
Exact Mass338.04
IUPAC Name1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)(c1cncc(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C15H16BrFN2O/c1-14(2,3)15(20,10-6-12(17)9-18-7-10)13-5-4-11(16)8-19-13/h4-9,20H,1-3H3
InChIKeyOCXXBTRISVCZCN-UHFFFAOYSA-N
XLogP3.66
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol (CID 118431545) is 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)(c1cncc(F)c1)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol?
The InChIKey is OCXXBTRISVCZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2O/c1-14(2,3)15(20,10-6-12(17)9-18-7-10)13-5-4-11(16)8-19-13/h4-9,20H,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol?
1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol has a molecular weight of 339.21 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1-(5-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 118431545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).