1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

C15H14BrF2NO — CID 115940685

IUPAC1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(Cc1cc(F)cc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C15H14BrF2NO/c1-2-15(20,14-4-3-12(17)9-19-14)8-10-5-11(16)7-13(18)6-10/h3-7,9,20H,2,8H2,1H3
InChIKeyYEIFQQXMGKJCDS-UHFFFAOYSA-N
MW342.18 g/mol
LogP3.96
Rot. Bonds4

About 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol

1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 115940685) has the molecular formula C15H14BrF2NO and a molecular weight of 342.18 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID115940685
Molecular FormulaC15H14BrF2NO
Molecular Weight342.18 g/mol
Exact Mass341.02
IUPAC Name1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(Cc1cc(F)cc(Br)c1)c1ccc(F)cn1
InChIInChI=1S/C15H14BrF2NO/c1-2-15(20,14-4-3-12(17)9-19-14)8-10-5-11(16)7-13(18)6-10/h3-7,9,20H,2,8H2,1H3
InChIKeyYEIFQQXMGKJCDS-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585919
2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
CID 112585843
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
6-ethylsulfonyl-3-(5-fluoro-2-pyridinyl)hexan-3-ol
CID 112585907
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585785
2-[(3-bromo-5-fluorophenyl)methyl]-2-ethylbutanoic acid
CID 79702744
3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
CID 114852677
1-(4-bromophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112585959
2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
CID 112585844
4-[(3-bromo-5-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865491

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 115940685) is 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(O)(Cc1cc(F)cc(Br)c1)c1ccc(F)cn1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is YEIFQQXMGKJCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO/c1-2-15(20,14-4-3-12(17)9-19-14)8-10-5-11(16)7-13(18)6-10/h3-7,9,20H,2,8H2,1H3.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol?
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 342.18 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 115940685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).