3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol

C11H9BrN2O2 — CID 107680637

IUPAC3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
SMILESCc1cc(O)cc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C11H9BrN2O2/c1-7-2-9(15)4-10(3-7)16-11-13-5-8(12)6-14-11/h2-6,15H,1H3
InChIKeyDYIONYMHTGKNGZ-UHFFFAOYSA-N
MW281.11 g/mol
LogP3.05
Rot. Bonds2

About 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol

3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol (PubChem CID 107680637) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
PubChem CID107680637
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol
SMILESCc1cc(O)cc(Oc2ncc(Br)cn2)c1
InChIInChI=1S/C11H9BrN2O2/c1-7-2-9(15)4-10(3-7)16-11-13-5-8(12)6-14-11/h2-6,15H,1H3
InChIKeyDYIONYMHTGKNGZ-UHFFFAOYSA-N
XLogP3.05
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-pyrimidin-2-yloxyphenol
CID 107680712
3-methyl-5-(4-methylpyrimidin-2-yl)oxyphenol
CID 107680799
carbononitridic bromide;3-methyl-5-(2H-tetrazol-5-yloxy)phenol
CID 69192699
3-[(3,5-difluoro-2-pyridinyl)oxy]-5-methylphenol
CID 107680983
3-(1,2,4-benzotriazin-3-yloxy)-5-methylphenol
CID 107680810
3-[tert-butyl(dimethyl)silyl]oxy-5-methylphenol
CID 91727610
5-bromo-2-(4-ethoxyphenoxy)pyrimidine
CID 63867392
3-methyl-5-prop-2-ynoxyphenol
CID 87477485
5-bromo-2-(4-fluorophenoxy)pyrimidine
CID 4270915
[5-bromo-3-(3,5-dimethylphenoxy)-2-pyridinyl]methanamine
CID 114202920
2-(3-hydroxy-5-methylphenoxy)-N,N-dimethylacetamide
CID 19856163
3-(3,3-dimethylbutoxy)-5-methylphenol
CID 107679623

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol (CID 107680637) is 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol is Cc1cc(O)cc(Oc2ncc(Br)cn2)c1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol?
The InChIKey is DYIONYMHTGKNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-7-2-9(15)4-10(3-7)16-11-13-5-8(12)6-14-11/h2-6,15H,1H3.
What are the key properties of 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol?
3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol has a molecular weight of 281.11 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)oxy-5-methylphenol is sourced from PubChem (CID 107680637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).