2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol

C12H12BrNO2 — CID 115833386

IUPAC2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cncc(Br)c2)co1
InChIInChI=1S/C12H12BrNO2/c1-8-2-10(7-16-8)12(15)4-9-3-11(13)6-14-5-9/h2-3,5-7,12,15H,4H2,1H3
InChIKeyKSHSQLSPFOOFAZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP3.02
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol (PubChem CID 115833386) has the molecular formula C12H12BrNO2 and a molecular weight of 282.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
PubChem CID115833386
Molecular FormulaC12H12BrNO2
Molecular Weight282.14 g/mol
Exact Mass281.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2cncc(Br)c2)co1
InChIInChI=1S/C12H12BrNO2/c1-8-2-10(7-16-8)12(15)4-9-3-11(13)6-14-5-9/h2-3,5-7,12,15H,4H2,1H3
InChIKeyKSHSQLSPFOOFAZ-UHFFFAOYSA-N
XLogP3.02
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 113454694
1-(5-bromo-3-pyridinyl)-3-(4-methylphenyl)propan-2-ol
CID 104799991
1-(4-bromo-3-chlorophenyl)-2-(5-bromo-3-pyridinyl)ethanol
CID 115833417
2-(5-bromo-3-pyridinyl)-1-(5-ethylfuran-2-yl)ethanol
CID 104801936
3-(5-bromo-3-pyridinyl)-1,1-dimethoxypropan-2-ol
CID 104800369
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
3-(5-bromo-3-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800052
(2R)-3-(5-bromo-3-pyridinyl)-2-hydroxypropanoic acid
CID 124595657
2-(5-bromo-3-pyridinyl)-1-[4-bromo-3-(trifluoromethyl)phenyl]ethanol
CID 115833331
1-(5-methylfuran-3-yl)-2-thiophen-3-ylethanol
CID 114822893

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol (CID 115833386) is 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol is Cc1cc(C(O)Cc2cncc(Br)c2)co1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol?
The InChIKey is KSHSQLSPFOOFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO2/c1-8-2-10(7-16-8)12(15)4-9-3-11(13)6-14-5-9/h2-3,5-7,12,15H,4H2,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol has a molecular weight of 282.14 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(5-methylfuran-3-yl)ethanol is sourced from PubChem (CID 115833386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).