2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol

C12H11BrN2O — CID 104799817

IUPAC2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
SMILESOC(Cc1cncc(Br)c1)c1ccccn1
InChIInChI=1S/C12H11BrN2O/c13-10-5-9(7-14-8-10)6-12(16)11-3-1-2-4-15-11/h1-5,7-8,12,16H,6H2
InChIKeyYFFCDJKYGOXOFA-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.52
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol

2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol (PubChem CID 104799817) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
PubChem CID104799817
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
SMILESOC(Cc1cncc(Br)c1)c1ccccn1
InChIInChI=1S/C12H11BrN2O/c13-10-5-9(7-14-8-10)6-12(16)11-3-1-2-4-15-11/h1-5,7-8,12,16H,6H2
InChIKeyYFFCDJKYGOXOFA-UHFFFAOYSA-N
XLogP2.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105126317
3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine
CID 135358069
1,2-dipyridin-2-ylethanol
CID 11458306
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043
2-(3-bromophenyl)-1-pyrazin-2-ylethanol
CID 60798703
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanol
CID 104799790
2-(5-bromo-3-pyridinyl)-1-(4-methylphenyl)ethanol
CID 113454601
3-bromo-5-(pyridin-2-ylsulfanylmethyl)pyridine
CID 115580538
2-(5-bromo-3-pyridinyl)-1-pyrazin-2-ylethanamine
CID 104801176
2-(5-bromo-3-pyridinyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 104801909
2-(2-bromo-4-fluorophenyl)-1-pyridin-2-ylethanol
CID 62608368

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol (CID 104799817) is 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol is OC(Cc1cncc(Br)c1)c1ccccn1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol?
The InChIKey is YFFCDJKYGOXOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-10-5-9(7-14-8-10)6-12(16)11-3-1-2-4-15-11/h1-5,7-8,12,16H,6H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol?
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol has a molecular weight of 279.14 g/mol, XLogP of 2.52, 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-pyridin-2-ylethanol is sourced from PubChem (CID 104799817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).