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

C15H15BrFNO — CID 104802643

IUPAC1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cncc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-2-15(19,13-5-3-4-6-14(13)17)8-11-7-12(16)10-18-9-11/h3-7,9-10,19H,2,8H2,1H3
InChIKeyBDBRYEAMCZKTSD-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.82
Rot. Bonds4

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

1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol (PubChem CID 104802643) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol
PubChem CID104802643
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cncc(Br)c1)c1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-2-15(19,13-5-3-4-6-14(13)17)8-11-7-12(16)10-18-9-11/h3-7,9-10,19H,2,8H2,1H3
InChIKeyBDBRYEAMCZKTSD-UHFFFAOYSA-N
XLogP3.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 114931152
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
3-bromo-5-[3-chloro-2-(chloromethyl)-2-(2-methylphenyl)propyl]pyridine
CID 104813489
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
CID 113228063
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-fluorophenyl)butan-2-ol
CID 112679362
1-(5-bromo-3-pyridinyl)-2-methylpropan-2-amine
CID 104802807
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
2-[(5-bromo-3-pyridinyl)methyl]-2-ethyl-N-methylbutan-1-amine
CID 104810652
1-(5-bromo-3-pyridinyl)-2-cyclopropylpropan-2-ol
CID 104801568
1-(5-bromo-3-pyridinyl)-3-(2,6-difluorophenyl)propan-2-one
CID 115801231

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol (CID 104802643) is 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol is CCC(O)(Cc1cncc(Br)c1)c1ccccc1F.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol?
The InChIKey is BDBRYEAMCZKTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-15(19,13-5-3-4-6-14(13)17)8-11-7-12(16)10-18-9-11/h3-7,9-10,19H,2,8H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol?
1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol has a molecular weight of 324.19 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(2-fluorophenyl)butan-2-ol is sourced from PubChem (CID 104802643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).