3-pyrimidin-2-yloxybenzaldehyde

C11H8N2O2 — CID 2763336

IUPAC3-pyrimidin-2-yloxybenzaldehyde
SMILESO=Cc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C11H8N2O2/c14-8-9-3-1-4-10(7-9)15-11-12-5-2-6-13-11/h1-8H
InChIKeyDWRSRAYKUJFONM-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.08
Rot. Bonds3

About 3-pyrimidin-2-yloxybenzaldehyde

3-pyrimidin-2-yloxybenzaldehyde (PubChem CID 2763336) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-pyrimidin-2-yloxybenzaldehyde.

Molecular Properties

Compound Name3-pyrimidin-2-yloxybenzaldehyde
PubChem CID2763336
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name3-pyrimidin-2-yloxybenzaldehyde
SMILESO=Cc1cccc(Oc2ncccn2)c1
InChIInChI=1S/C11H8N2O2/c14-8-9-3-1-4-10(7-9)15-11-12-5-2-6-13-11/h1-8H
InChIKeyDWRSRAYKUJFONM-UHFFFAOYSA-N
XLogP2.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.08
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 3-pyrimidin-2-yloxybenzaldehyde?
The IUPAC name of 3-pyrimidin-2-yloxybenzaldehyde (CID 2763336) is 3-pyrimidin-2-yloxybenzaldehyde.
What is the SMILES notation for 3-pyrimidin-2-yloxybenzaldehyde?
The canonical SMILES for 3-pyrimidin-2-yloxybenzaldehyde is O=Cc1cccc(Oc2ncccn2)c1.
What is the InChIKey of 3-pyrimidin-2-yloxybenzaldehyde?
The InChIKey is DWRSRAYKUJFONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c14-8-9-3-1-4-10(7-9)15-11-12-5-2-6-13-11/h1-8H.
What are the key properties of 3-pyrimidin-2-yloxybenzaldehyde?
3-pyrimidin-2-yloxybenzaldehyde has a molecular weight of 200.20 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-2-yloxybenzaldehyde is sourced from PubChem (CID 2763336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).