1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol

C12H10Br2N2O — CID 104735851

IUPAC1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ncc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c13-9-5-10(14)12(16-7-9)11(17)4-8-2-1-3-15-6-8/h1-3,5-7,11,17H,4H2
InChIKeyFFODABGZDIKEAB-UHFFFAOYSA-N
MW358.03 g/mol
LogP3.28
Rot. Bonds3

About 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol

1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol (PubChem CID 104735851) has the molecular formula C12H10Br2N2O and a molecular weight of 358.03 g/mol. Its IUPAC name is 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol.

Molecular Properties

Compound Name1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
PubChem CID104735851
Molecular FormulaC12H10Br2N2O
Molecular Weight358.03 g/mol
Exact Mass355.92
IUPAC Name1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol
SMILESOC(Cc1cccnc1)c1ncc(Br)cc1Br
InChIInChI=1S/C12H10Br2N2O/c13-9-5-10(14)12(16-7-9)11(17)4-8-2-1-3-15-6-8/h1-3,5-7,11,17H,4H2
InChIKeyFFODABGZDIKEAB-UHFFFAOYSA-N
XLogP3.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.03
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
2-(4-chloro-2-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 114852697
1-(2-bromophenyl)-3-pyridin-3-ylpropan-2-ol
CID 62553405
1-naphthalen-2-yl-2-pyridin-3-ylethanol
CID 62790666
1-(3,5-dichlorophenyl)-2-pyridin-3-ylethanol
CID 113446836
1-(5-bromo-2-chlorophenyl)-2-pyridin-3-ylethanamine
CID 105034465
(3,5-dibromo-2-pyridinyl)-(4-methyl-3-pyridinyl)methanol
CID 113393932
1-(6-methyl-3-pyridinyl)-2-pyridin-3-ylethanol
CID 63155414
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
2-bromo-3-pyridin-3-ylpropan-1-ol
CID 70078004

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol?
The IUPAC name of 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol (CID 104735851) is 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol.
What is the SMILES notation for 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol?
The canonical SMILES for 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol is OC(Cc1cccnc1)c1ncc(Br)cc1Br.
What is the InChIKey of 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol?
The InChIKey is FFODABGZDIKEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O/c13-9-5-10(14)12(16-7-9)11(17)4-8-2-1-3-15-6-8/h1-3,5-7,11,17H,4H2.
What are the key properties of 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol?
1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol has a molecular weight of 358.03 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromo-2-pyridinyl)-2-pyridin-3-ylethanol is sourced from PubChem (CID 104735851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).