3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde

C12H8ClNO2 — CID 170946631

IUPAC3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
SMILESO=Cc1cccc(Oc2ccc(Cl)nc2)c1
InChIInChI=1S/C12H8ClNO2/c13-12-5-4-11(7-14-12)16-10-3-1-2-9(6-10)8-15/h1-8H
InChIKeyRJVXNLBCTKQSME-UHFFFAOYSA-N
MW233.65 g/mol
LogP3.34
Rot. Bonds3

About 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde

3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde (PubChem CID 170946631) has the molecular formula C12H8ClNO2 and a molecular weight of 233.65 g/mol. Its IUPAC name is 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde.

Molecular Properties

Compound Name3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
PubChem CID170946631
Molecular FormulaC12H8ClNO2
Molecular Weight233.65 g/mol
Exact Mass233.02
IUPAC Name3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
SMILESO=Cc1cccc(Oc2ccc(Cl)nc2)c1
InChIInChI=1S/C12H8ClNO2/c13-12-5-4-11(7-14-12)16-10-3-1-2-9(6-10)8-15/h1-8H
InChIKeyRJVXNLBCTKQSME-UHFFFAOYSA-N
XLogP3.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 53.34
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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Related Compounds

4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
3-(6-chloropyridazin-3-yl)oxybenzaldehyde
CID 50878106
2-chloro-5-(3-propan-2-ylphenoxy)pyridine
CID 82225199
3-(4-bromophenoxy)benzaldehyde
CID 12874363
3-(6-chloro-2-methylpyrimidin-4-yl)oxybenzaldehyde
CID 52875059
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
3-(2,4,5-trichlorophenoxy)benzaldehyde
CID 63942666
2-chloro-5-(3,4-dimethylphenoxy)pyridine
CID 82225184
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
4-(3-formylphenoxy)benzonitrile
CID 13238540
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
1-[3-[(6-chloro-3-pyridinyl)oxy]phenyl]-4-methylpiperazine
CID 59588917

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde?
The IUPAC name of 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde (CID 170946631) is 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde.
What is the SMILES notation for 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde?
The canonical SMILES for 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde is O=Cc1cccc(Oc2ccc(Cl)nc2)c1.
What is the InChIKey of 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde?
The InChIKey is RJVXNLBCTKQSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNO2/c13-12-5-4-11(7-14-12)16-10-3-1-2-9(6-10)8-15/h1-8H.
What are the key properties of 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde?
3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde has a molecular weight of 233.65 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-pyridinyl)oxy]benzaldehyde is sourced from PubChem (CID 170946631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).