formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde

C14H16N2O4 — CID 160654642

IUPACformaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde
SMILESC=O.COc1ccccn1.COc1ncccc1C=O
InChIInChI=1S/C7H7NO2.C6H7NO.CH2O/c1-10-7-6(5-9)3-2-4-8-7;1-8-6-4-2-3-5-7-6;1-2/h2-5H,1H3;2-5H,1H3;1H2
InChIKeyRKWQKWBJNNACPB-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.81
Rot. Bonds3

About formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde

formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde (PubChem CID 160654642) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Nameformaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde
PubChem CID160654642
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Nameformaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde
SMILESC=O.COc1ccccn1.COc1ncccc1C=O
InChIInChI=1S/C7H7NO2.C6H7NO.CH2O/c1-10-7-6(5-9)3-2-4-8-7;1-8-6-4-2-3-5-7-6;1-2/h2-5H,1H3;2-5H,1H3;1H2
InChIKeyRKWQKWBJNNACPB-UHFFFAOYSA-N
XLogP1.81
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
2-methoxypyridine;methyl formate
CID 163953366
2-methoxypyridine
CID 71774587
CID 160727652
CID 160727652
2-methoxypyridine;hydrobromide
CID 157413143
ethane;methane;2-methoxypyridine
CID 142448470
2-methoxypyridine;methylphosphane
CID 143918814
3-(2-methoxy-3-pyridinyl)prop-2-enal
CID 169458903
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
dichloropalladium;2-methoxypyridine
CID 174694369
2-methoxypyridine;2-methylpyridine;propane
CID 171085047
ethane;methanone;2-methoxypyridine;2-methylpropane;uranium
CID 171538339

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde?
The IUPAC name of formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde (CID 160654642) is formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde is C=O.COc1ccccn1.COc1ncccc1C=O.
What is the InChIKey of formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde?
The InChIKey is RKWQKWBJNNACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C6H7NO.CH2O/c1-10-7-6(5-9)3-2-4-8-7;1-8-6-4-2-3-5-7-6;1-2/h2-5H,1H3;2-5H,1H3;1H2.
What are the key properties of formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde?
formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde has a molecular weight of 276.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methoxypyridine;2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 160654642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).