2-(4-bromopyrimidin-2-yl)ethanol

C6H7BrN2O — CID 58711754

IUPAC2-(4-bromopyrimidin-2-yl)ethanol
SMILESOCCc1nccc(Br)n1
InChIInChI=1S/C6H7BrN2O/c7-5-1-3-8-6(9-5)2-4-10/h1,3,10H,2,4H2
InChIKeyNENYIZKOGGXHIA-UHFFFAOYSA-N
MW203.04 g/mol
LogP0.77
Rot. Bonds2

About 2-(4-bromopyrimidin-2-yl)ethanol

2-(4-bromopyrimidin-2-yl)ethanol (PubChem CID 58711754) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-(4-bromopyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromopyrimidin-2-yl)ethanol
PubChem CID58711754
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name2-(4-bromopyrimidin-2-yl)ethanol
SMILESOCCc1nccc(Br)n1
InChIInChI=1S/C6H7BrN2O/c7-5-1-3-8-6(9-5)2-4-10/h1,3,10H,2,4H2
InChIKeyNENYIZKOGGXHIA-UHFFFAOYSA-N
XLogP0.77
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrimidin-2-yl)ethanol?
The IUPAC name of 2-(4-bromopyrimidin-2-yl)ethanol (CID 58711754) is 2-(4-bromopyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromopyrimidin-2-yl)ethanol?
The canonical SMILES for 2-(4-bromopyrimidin-2-yl)ethanol is OCCc1nccc(Br)n1.
What is the InChIKey of 2-(4-bromopyrimidin-2-yl)ethanol?
The InChIKey is NENYIZKOGGXHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c7-5-1-3-8-6(9-5)2-4-10/h1,3,10H,2,4H2.
What are the key properties of 2-(4-bromopyrimidin-2-yl)ethanol?
2-(4-bromopyrimidin-2-yl)ethanol has a molecular weight of 203.04 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrimidin-2-yl)ethanol is sourced from PubChem (CID 58711754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).