2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol

C13H13BrN2O — CID 104800540

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
SMILESCc1cnccc1C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN2O/c1-9-7-15-5-4-12(9)13(17)6-11-3-2-10(14)8-16-11/h2-5,7-8,13,17H,6H2,1H3
InChIKeyLZDPLBNPDAVIEL-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.82
Rot. Bonds3

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

2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol (PubChem CID 104800540) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
PubChem CID104800540
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
SMILESCc1cnccc1C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C13H13BrN2O/c1-9-7-15-5-4-12(9)13(17)6-11-3-2-10(14)8-16-11/h2-5,7-8,13,17H,6H2,1H3
InChIKeyLZDPLBNPDAVIEL-UHFFFAOYSA-N
XLogP2.82
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,5-dimethyl-2-pyridinyl)ethanol
CID 104800583
1-(4-bromo-2-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 115822213
(1R)-2-amino-1-(3-methyl-4-pyridinyl)ethanol
CID 96848687
2-(5-bromo-2-pyridinyl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502739
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554148
2-(5-bromo-2-pyridinyl)-1-(4-methylthiadiazol-5-yl)ethanol
CID 105126130
2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
2-(3,4-difluorophenyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 82919760
2-(5-bromo-2-pyridinyl)-1-(1,3-thiazol-5-yl)ethanol
CID 104800447
2-(5-bromo-2-pyridinyl)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethanol
CID 104800488
2-(5-bromo-2-pyridinyl)-1-(2,5-dichlorothiophen-3-yl)ethanol
CID 107969876

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol (CID 104800540) is 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol is Cc1cnccc1C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol?
The InChIKey is LZDPLBNPDAVIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-7-15-5-4-12(9)13(17)6-11-3-2-10(14)8-16-11/h2-5,7-8,13,17H,6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol has a molecular weight of 293.16 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol is sourced from PubChem (CID 104800540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).