1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol

C14H12BrF2NO — CID 112585785

IUPAC1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-2-14(19,13-6-4-10(16)8-18-13)11-7-9(15)3-5-12(11)17/h3-8,19H,2H2,1H3
InChIKeyMZICANMEZORFEN-UHFFFAOYSA-N
MW328.16 g/mol
LogP3.77
Rot. Bonds3

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

1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (PubChem CID 112585785) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
PubChem CID112585785
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC Name1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
SMILESCCC(O)(c1ccc(F)cn1)c1cc(Br)ccc1F
InChIInChI=1S/C14H12BrF2NO/c1-2-14(19,13-6-4-10(16)8-18-13)11-7-9(15)3-5-12(11)17/h3-8,19H,2H2,1H3
InChIKeyMZICANMEZORFEN-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 83125325
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
1-(4-bromo-2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)propan-2-amine
CID 83125669
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 115940685
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol (CID 112585785) is 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is CCC(O)(c1ccc(F)cn1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
The InChIKey is MZICANMEZORFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c1-2-14(19,13-6-4-10(16)8-18-13)11-7-9(15)3-5-12(11)17/h3-8,19H,2H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol?
1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol has a molecular weight of 328.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 112585785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).