2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde

C13H9BrClNO2 — CID 89423899

IUPAC2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde
SMILESCc1ccc(Cl)nc1Oc1ccc(Br)c(C=O)c1
InChIInChI=1S/C13H9BrClNO2/c1-8-2-5-12(15)16-13(8)18-10-3-4-11(14)9(6-10)7-17/h2-7H,1H3
InChIKeyXFUOSZFNZIMWMS-UHFFFAOYSA-N
MW326.58 g/mol
LogP4.41
Rot. Bonds3

About 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde

2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde (PubChem CID 89423899) has the molecular formula C13H9BrClNO2 and a molecular weight of 326.58 g/mol. Its IUPAC name is 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde.

Molecular Properties

Compound Name2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde
PubChem CID89423899
Molecular FormulaC13H9BrClNO2
Molecular Weight326.58 g/mol
Exact Mass324.95
IUPAC Name2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde
SMILESCc1ccc(Cl)nc1Oc1ccc(Br)c(C=O)c1
InChIInChI=1S/C13H9BrClNO2/c1-8-2-5-12(15)16-13(8)18-10-3-4-11(14)9(6-10)7-17/h2-7H,1H3
InChIKeyXFUOSZFNZIMWMS-UHFFFAOYSA-N
XLogP4.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.58
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde?
The IUPAC name of 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde (CID 89423899) is 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde.
What is the SMILES notation for 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde?
The canonical SMILES for 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde is Cc1ccc(Cl)nc1Oc1ccc(Br)c(C=O)c1.
What is the InChIKey of 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde?
The InChIKey is XFUOSZFNZIMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNO2/c1-8-2-5-12(15)16-13(8)18-10-3-4-11(14)9(6-10)7-17/h2-7H,1H3.
What are the key properties of 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde?
2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde has a molecular weight of 326.58 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(6-chloro-3-methyl-2-pyridinyl)oxy]benzaldehyde is sourced from PubChem (CID 89423899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).