2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine

C11H7BrN2O3 — CID 63868415

IUPAC2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
SMILESBrc1cnc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C11H7BrN2O3/c12-7-4-13-11(14-5-7)17-8-1-2-9-10(3-8)16-6-15-9/h1-5H,6H2
InChIKeyBLJGJVTZVVAOND-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.76
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine

2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine (PubChem CID 63868415) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
PubChem CID63868415
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
SMILESBrc1cnc(Oc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C11H7BrN2O3/c12-7-4-13-11(14-5-7)17-8-1-2-9-10(3-8)16-6-15-9/h1-5H,6H2
InChIKeyBLJGJVTZVVAOND-UHFFFAOYSA-N
XLogP2.76
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-5-(bromomethyl)pyrimidine
CID 107086399
6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
CID 104507278
2-(1,3-benzodioxol-5-yloxy)-4-bromoaniline
CID 65342101
2-(1,3-benzodioxol-5-yloxy)-4-bromobenzaldehyde
CID 43364678
6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
CID 62476577
4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
CID 80881241
4-(1,3-benzodioxol-5-yloxy)-1H-pyridazin-6-one
CID 103241265
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
1-[2-(1,3-benzodioxol-5-yloxy)-4-bromophenyl]-N-methylmethanamine
CID 43282407
6-(1,3-benzodioxol-5-yloxy)pyridine-3-sulfonyl chloride
CID 115928074
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
N-(1,3-benzodioxol-5-yl)-5-bromo-N,3-dimethylpyridin-2-amine
CID 115148495

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine (CID 63868415) is 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine is Brc1cnc(Oc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine?
The InChIKey is BLJGJVTZVVAOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7-4-13-11(14-5-7)17-8-1-2-9-10(3-8)16-6-15-9/h1-5H,6H2.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine?
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine has a molecular weight of 295.09 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine is sourced from PubChem (CID 63868415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).