2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol

C14H13BrFNO — CID 113454694

IUPAC2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cc1cncc(Br)c1
InChIInChI=1S/C14H13BrFNO/c1-9-4-12(16)2-3-13(9)14(18)6-10-5-11(15)8-17-7-10/h2-5,7-8,14,18H,6H2,1H3
InChIKeyPGGBMDFRMBRCHC-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.57
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol

2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 113454694) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
PubChem CID113454694
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(O)Cc1cncc(Br)c1
InChIInChI=1S/C14H13BrFNO/c1-9-4-12(16)2-3-13(9)14(18)6-10-5-11(15)8-17-7-10/h2-5,7-8,14,18H,6H2,1H3
InChIKeyPGGBMDFRMBRCHC-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
N-[2-(5-bromo-3-pyridinyl)-1-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 104801776
2-(5-bromo-3-pyridinyl)-1-(2,4-dimethylphenyl)ethanamine
CID 105036620
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909
[1-(2-bromo-5-fluorophenyl)-2-(5-bromo-3-pyridinyl)ethyl]hydrazine
CID 105334830
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
CID 115833386
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethoxyphenyl)ethanol
CID 104801826
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol (CID 113454694) is 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(O)Cc1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is PGGBMDFRMBRCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-4-12(16)2-3-13(9)14(18)6-10-5-11(15)8-17-7-10/h2-5,7-8,14,18H,6H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 310.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 113454694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).