4-(4-bromophenoxy)pyrimidine-5-carbaldehyde

C11H7BrN2O2 — CID 28906829

IUPAC4-(4-bromophenoxy)pyrimidine-5-carbaldehyde
SMILESO=Cc1cncnc1Oc1ccc(Br)cc1
InChIInChI=1S/C11H7BrN2O2/c12-9-1-3-10(4-2-9)16-11-8(6-15)5-13-7-14-11/h1-7H
InChIKeyXVAOEFPYLMTKJC-UHFFFAOYSA-N
MW279.09 g/mol
LogP2.84
Rot. Bonds3

About 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde

4-(4-bromophenoxy)pyrimidine-5-carbaldehyde (PubChem CID 28906829) has the molecular formula C11H7BrN2O2 and a molecular weight of 279.09 g/mol. Its IUPAC name is 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-(4-bromophenoxy)pyrimidine-5-carbaldehyde
PubChem CID28906829
Molecular FormulaC11H7BrN2O2
Molecular Weight279.09 g/mol
Exact Mass277.97
IUPAC Name4-(4-bromophenoxy)pyrimidine-5-carbaldehyde
SMILESO=Cc1cncnc1Oc1ccc(Br)cc1
InChIInChI=1S/C11H7BrN2O2/c12-9-1-3-10(4-2-9)16-11-8(6-15)5-13-7-14-11/h1-7H
InChIKeyXVAOEFPYLMTKJC-UHFFFAOYSA-N
XLogP2.84
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.09
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde?
The IUPAC name of 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde (CID 28906829) is 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde?
The canonical SMILES for 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde is O=Cc1cncnc1Oc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde?
The InChIKey is XVAOEFPYLMTKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O2/c12-9-1-3-10(4-2-9)16-11-8(6-15)5-13-7-14-11/h1-7H.
What are the key properties of 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde?
4-(4-bromophenoxy)pyrimidine-5-carbaldehyde has a molecular weight of 279.09 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 28906829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).