1-(5-bromopyrimidin-2-yl)-2-fluoroethanol

C6H6BrFN2O — CID 155823314

IUPAC1-(5-bromopyrimidin-2-yl)-2-fluoroethanol
SMILESOC(CF)c1ncc(Br)cn1
InChIInChI=1S/C6H6BrFN2O/c7-4-2-9-6(10-3-4)5(11)1-8/h2-3,5,11H,1H2
InChIKeyDHBCDJYSGOUIPN-UHFFFAOYSA-N
MW221.03 g/mol
LogP1.24
Rot. Bonds2

About 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol

1-(5-bromopyrimidin-2-yl)-2-fluoroethanol (PubChem CID 155823314) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-2-fluoroethanol
PubChem CID155823314
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name1-(5-bromopyrimidin-2-yl)-2-fluoroethanol
SMILESOC(CF)c1ncc(Br)cn1
InChIInChI=1S/C6H6BrFN2O/c7-4-2-9-6(10-3-4)5(11)1-8/h2-3,5,11H,1H2
InChIKeyDHBCDJYSGOUIPN-UHFFFAOYSA-N
XLogP1.24
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol (CID 155823314) is 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol is OC(CF)c1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol?
The InChIKey is DHBCDJYSGOUIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c7-4-2-9-6(10-3-4)5(11)1-8/h2-3,5,11H,1H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol?
1-(5-bromopyrimidin-2-yl)-2-fluoroethanol has a molecular weight of 221.03 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-2-fluoroethanol is sourced from PubChem (CID 155823314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).