[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol

C12H10BrClN2O2 — CID 114215312

IUPAC[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H10BrClN2O2/c1-7-15-5-8(6-17)12(16-7)18-11-4-9(13)2-3-10(11)14/h2-5,17H,6H2,1H3
InChIKeyQCZPIZPMUUYRPJ-UHFFFAOYSA-N
MW329.58 g/mol
LogP3.49
Rot. Bonds3

About [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol

[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol (PubChem CID 114215312) has the molecular formula C12H10BrClN2O2 and a molecular weight of 329.58 g/mol. Its IUPAC name is [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
PubChem CID114215312
Molecular FormulaC12H10BrClN2O2
Molecular Weight329.58 g/mol
Exact Mass327.96
IUPAC Name[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H10BrClN2O2/c1-7-15-5-8(6-17)12(16-7)18-11-4-9(13)2-3-10(11)14/h2-5,17H,6H2,1H3
InChIKeyQCZPIZPMUUYRPJ-UHFFFAOYSA-N
XLogP3.49
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.58
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(5-bromo-2-chlorophenoxy)pyrimidin-2-amine
CID 80880013
[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol
CID 114215363
4-(5-bromo-2-chlorophenoxy)-5-chloropyrimidin-2-amine
CID 80880367
1-[4-(5-bromo-2-chlorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81251035
[5-chloro-6-(2,4-dibromophenoxy)-3-pyridinyl]methanol
CID 64721323
4-(5-bromo-2-chlorophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80878835
[2-(2,5-dichlorophenoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184031
[4-(5-bromo-2-methylphenoxy)-6-methyl-3-pyridinyl]methanol
CID 107285369
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
2-[6-(5-bromo-2-chlorophenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639815
2-(5-bromo-2-chlorophenoxy)-3-(bromomethyl)quinoline
CID 107088617

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol (CID 114215312) is [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol is Cc1ncc(CO)c(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol?
The InChIKey is QCZPIZPMUUYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2/c1-7-15-5-8(6-17)12(16-7)18-11-4-9(13)2-3-10(11)14/h2-5,17H,6H2,1H3.
What are the key properties of [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol?
[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol has a molecular weight of 329.58 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114215312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).