4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid

C18H19NO6 — CID 87789776

IUPAC4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
SMILESCCc1ccc(CCOc2ccc(C=O)cc2)nc1.O=C(O)C(=O)O
InChIInChI=1S/C16H17NO2.C2H2O4/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16;3-1(4)2(5)6/h3-8,11-12H,2,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyGXWCSKQNOPVVIT-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.23
Rot. Bonds6

About 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid

4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid (PubChem CID 87789776) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid.

Molecular Properties

Compound Name4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
PubChem CID87789776
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid
SMILESCCc1ccc(CCOc2ccc(C=O)cc2)nc1.O=C(O)C(=O)O
InChIInChI=1S/C16H17NO2.C2H2O4/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16;3-1(4)2(5)6/h3-8,11-12H,2,9-10H2,1H3;(H,3,4)(H,5,6)
InChIKeyGXWCSKQNOPVVIT-UHFFFAOYSA-N
XLogP2.23
TPSA113.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-ethyl-2-pyridinyl)ethanol;4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde
CID 158188022
2-bromo-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]prop-2-enoic acid
CID 141245555
(2R)-2-ethoxy-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 67367096
2-carbamoylsulfanyl-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoic acid
CID 58629732
2-[2-(4-bromophenoxy)ethyl]-5-ethylpyridine;sulfuric acid
CID 131698614
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 14211277
ethyl 2-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propanoate
CID 53249782
ethane;(Z)-3-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]-N-methyl-2-methylsulfanylprop-2-enamide;formaldehyde
CID 142844864
4-chloro-N-[(E)-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylideneamino]benzamide
CID 11711221
(5Z)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione;hydron;chloride
CID 87789988
S-[1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]propan-2-yl] N-formylcarbamothioate
CID 134221784
(5E)-5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methylidene]-1,3-thiazolidine
CID 66926885

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid?
The IUPAC name of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid (CID 87789776) is 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid.
What is the SMILES notation for 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid?
The canonical SMILES for 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid is CCc1ccc(CCOc2ccc(C=O)cc2)nc1.O=C(O)C(=O)O.
What is the InChIKey of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid?
The InChIKey is GXWCSKQNOPVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C2H2O4/c1-2-13-3-6-15(17-11-13)9-10-19-16-7-4-14(12-18)5-8-16;3-1(4)2(5)6/h3-8,11-12H,2,9-10H2,1H3;(H,3,4)(H,5,6).
What are the key properties of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid?
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid has a molecular weight of 345.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzaldehyde;oxalic acid is sourced from PubChem (CID 87789776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).