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

C15H15BrFNO — CID 114832657

IUPAC1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccc(Br)cn1)Cc1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-15(19,8-11-4-2-3-5-14(11)17)9-13-7-6-12(16)10-18-13/h2-7,10,19H,8-9H2,1H3
InChIKeyVIGLHQYFRHTTAP-UHFFFAOYSA-N
MW324.19 g/mol
LogP3.52
Rot. Bonds4

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

1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114832657) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114832657
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccc(Br)cn1)Cc1ccccc1F
InChIInChI=1S/C15H15BrFNO/c1-15(19,8-11-4-2-3-5-14(11)17)9-13-7-6-12(16)10-18-13/h2-7,10,19H,8-9H2,1H3
InChIKeyVIGLHQYFRHTTAP-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)propan-2-ol
CID 113454857
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-ol
CID 104799944
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine
CID 113455020
1-(1,3-diethylpyrazol-5-yl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832715
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 114832719
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
4-[(5-bromo-2-pyridinyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865142
2-(4-bromophenyl)-1-(2-fluorophenyl)propan-2-amine
CID 60799509

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (CID 114832657) is 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is CC(O)(Cc1ccc(Br)cn1)Cc1ccccc1F.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is VIGLHQYFRHTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-15(19,8-11-4-2-3-5-14(11)17)9-13-7-6-12(16)10-18-13/h2-7,10,19H,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 324.19 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114832657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).