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

C12H7Cl2NO2 — CID 114844935

IUPAC5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-1-2-12(8(3-9)7-16)17-11-4-10(14)5-15-6-11/h1-7H
InChIKeyMAXCRQMMMKCPCZ-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.99
Rot. Bonds3

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

5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde (PubChem CID 114844935) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
PubChem CID114844935
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
SMILESO=Cc1cc(Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C12H7Cl2NO2/c13-9-1-2-12(8(3-9)7-16)17-11-4-10(14)5-15-6-11/h1-7H
InChIKeyMAXCRQMMMKCPCZ-UHFFFAOYSA-N
XLogP3.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-chloro-3-pyridinyl)oxy]-3-methylbenzaldehyde
CID 64601191
5-chloro-2-(4-sulfanylphenoxy)benzaldehyde
CID 89176550
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
CID 64601579
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzonitrile
CID 64602337
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzaldehyde
CID 105405596
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
CID 64602701
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzaldehyde
CID 114844783
2-[(5-chloro-3-pyridinyl)oxy]-5-nitrobenzonitrile
CID 22148825
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde?
The IUPAC name of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde (CID 114844935) is 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde?
The canonical SMILES for 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde is O=Cc1cc(Cl)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde?
The InChIKey is MAXCRQMMMKCPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-9-1-2-12(8(3-9)7-16)17-11-4-10(14)5-15-6-11/h1-7H.
What are the key properties of 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde?
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde has a molecular weight of 268.10 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde is sourced from PubChem (CID 114844935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).