4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde

C13H10ClNO2 — CID 64601579

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
SMILESCc1cc(Oc2cncc(Cl)c2)ccc1C=O
InChIInChI=1S/C13H10ClNO2/c1-9-4-12(3-2-10(9)8-16)17-13-5-11(14)6-15-7-13/h2-8H,1H3
InChIKeyIDIKHNAXIHGAIH-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.65
Rot. Bonds3

About 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde

4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde (PubChem CID 64601579) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
PubChem CID64601579
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde
SMILESCc1cc(Oc2cncc(Cl)c2)ccc1C=O
InChIInChI=1S/C13H10ClNO2/c1-9-4-12(3-2-10(9)8-16)17-13-5-11(14)6-15-7-13/h2-8H,1H3
InChIKeyIDIKHNAXIHGAIH-UHFFFAOYSA-N
XLogP3.65
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde (CID 64601579) is 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde is Cc1cc(Oc2cncc(Cl)c2)ccc1C=O.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde?
The InChIKey is IDIKHNAXIHGAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-9-4-12(3-2-10(9)8-16)17-13-5-11(14)6-15-7-13/h2-8H,1H3.
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde?
4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde has a molecular weight of 247.68 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-2-methylbenzaldehyde is sourced from PubChem (CID 64601579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).