5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane

C17H20ClNO2 — CID 142322438

IUPAC5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
SMILESCC.Cc1cc(COc2ccc(Cl)cc2C=O)cc(C)n1
InChIInChI=1S/C15H14ClNO2.C2H6/c1-10-5-12(6-11(2)17-10)9-19-15-4-3-14(16)7-13(15)8-18;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyJEOXDJSRHJOBPE-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.77
Rot. Bonds4

About 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane

5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane (PubChem CID 142322438) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane.

Molecular Properties

Compound Name5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
PubChem CID142322438
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane
SMILESCC.Cc1cc(COc2ccc(Cl)cc2C=O)cc(C)n1
InChIInChI=1S/C15H14ClNO2.C2H6/c1-10-5-12(6-11(2)17-10)9-19-15-4-3-14(16)7-13(15)8-18;1-2/h3-8H,9H2,1-2H3;1-2H3
InChIKeyJEOXDJSRHJOBPE-UHFFFAOYSA-N
XLogP4.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.77
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 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane?
The IUPAC name of 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane (CID 142322438) is 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane.
What is the SMILES notation for 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane?
The canonical SMILES for 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane is CC.Cc1cc(COc2ccc(Cl)cc2C=O)cc(C)n1.
What is the InChIKey of 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane?
The InChIKey is JEOXDJSRHJOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2.C2H6/c1-10-5-12(6-11(2)17-10)9-19-15-4-3-14(16)7-13(15)8-18;1-2/h3-8H,9H2,1-2H3;1-2H3.
What are the key properties of 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane?
5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane has a molecular weight of 305.81 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2,6-dimethyl-4-pyridinyl)methoxy]benzaldehyde;ethane is sourced from PubChem (CID 142322438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).