4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane

C19H21NO5 — CID 143982718

IUPAC4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane
SMILESCCOc1ccc(C#Cc2ccc(C=O)c(OCO)c2)cn1.COC
InChIInChI=1S/C17H15NO4.C2H6O/c1-2-21-17-8-6-14(10-18-17)4-3-13-5-7-15(11-19)16(9-13)22-12-20;1-3-2/h5-11,20H,2,12H2,1H3;1-2H3
InChIKeyZQLFXARGYSSJBU-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.28
Rot. Bonds5

About 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane

4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane (PubChem CID 143982718) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane.

Molecular Properties

Compound Name4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane
PubChem CID143982718
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane
SMILESCCOc1ccc(C#Cc2ccc(C=O)c(OCO)c2)cn1.COC
InChIInChI=1S/C17H15NO4.C2H6O/c1-2-21-17-8-6-14(10-18-17)4-3-13-5-7-15(11-19)16(9-13)22-12-20;1-3-2/h5-11,20H,2,12H2,1H3;1-2H3
InChIKeyZQLFXARGYSSJBU-UHFFFAOYSA-N
XLogP2.28
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethoxy)-4-[2-(4-propoxyphenyl)ethynyl]benzaldehyde
CID 143982762
2-(hydroxymethoxy)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzaldehyde
CID 143982687
6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile
CID 59730360
3-ethoxy-4-formylbenzoic acid
CID 21100742
4-(4-bromobut-1-ynyl)-2-methoxybenzaldehyde
CID 170466359
N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide
CID 66634867
2-[2-(3-ethoxy-4-methoxyphenyl)ethynyl]-4-methoxy-5-propan-2-yloxybenzaldehyde
CID 58773594
tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(3-fluoro-4-formylphenyl)carbamate
CID 131971083
4-fluoro-2-propoxybenzaldehyde
CID 74889364
4-formyl-3-(3-methylbut-2-enoxy)benzonitrile
CID 101239651
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
ethyl 2-[3-[4-(6-ethoxy-3-pyridinyl)-2-formylphenyl]-4-methoxyphenyl]acetate
CID 58149023

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane?
The IUPAC name of 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane (CID 143982718) is 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane.
What is the SMILES notation for 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane?
The canonical SMILES for 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane is CCOc1ccc(C#Cc2ccc(C=O)c(OCO)c2)cn1.COC.
What is the InChIKey of 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane?
The InChIKey is ZQLFXARGYSSJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4.C2H6O/c1-2-21-17-8-6-14(10-18-17)4-3-13-5-7-15(11-19)16(9-13)22-12-20;1-3-2/h5-11,20H,2,12H2,1H3;1-2H3.
What are the key properties of 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane?
4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane has a molecular weight of 343.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-ethoxy-3-pyridinyl)ethynyl]-2-(hydroxymethoxy)benzaldehyde;methoxymethane is sourced from PubChem (CID 143982718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).