methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile

C15H17N3O3 — CID 162105536

IUPACmethane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
SMILESC.COc1ccc(C#N)cn1.COc1ccc(C=O)cn1
InChIInChI=1S/C7H6N2O.C7H7NO2.CH4/c1-10-7-3-2-6(4-8)5-9-7;1-10-7-3-2-6(5-9)4-8-7;/h2-3,5H,1H3;2-5H,1H3;1H4
InChIKeyZFLMUINUNOZWIX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds3

About methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile

methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile (PubChem CID 162105536) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Namemethane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
PubChem CID162105536
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile
SMILESC.COc1ccc(C#N)cn1.COc1ccc(C=O)cn1
InChIInChI=1S/C7H6N2O.C7H7NO2.CH4/c1-10-7-3-2-6(4-8)5-9-7;1-10-7-3-2-6(5-9)4-8-7;/h2-3,5H,1H3;2-5H,1H3;1H4
InChIKeyZFLMUINUNOZWIX-UHFFFAOYSA-N
XLogP2.50
TPSA85.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
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

6-methoxypyridine-3-carbaldehyde
CID 3364576
6-(trideuteriomethoxy)pyridine-3-carbaldehyde
CID 162700504
6-(4-formyl-3-methoxyphenoxy)pyridine-3-carbonitrile
CID 59730360
6-[(6-methoxy-3-pyridinyl)amino]pyridine-3-carbonitrile
CID 24691649
4-formylbenzonitrile;methane
CID 143070509
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
5-formylpyridine-2-carbonitrile
CID 10986263
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
2-[(5-cyano-2-pyridinyl)oxy]-N-(2,2-dimethylpropyl)acetamide;ethane
CID 143422628
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
CID 141118111

Frequently Asked Questions

What is the IUPAC name of methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile?
The IUPAC name of methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile (CID 162105536) is methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile.
What is the SMILES notation for methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile?
The canonical SMILES for methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile is C.COc1ccc(C#N)cn1.COc1ccc(C=O)cn1.
What is the InChIKey of methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile?
The InChIKey is ZFLMUINUNOZWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O.C7H7NO2.CH4/c1-10-7-3-2-6(4-8)5-9-7;1-10-7-3-2-6(5-9)4-8-7;/h2-3,5H,1H3;2-5H,1H3;1H4.
What are the key properties of methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile?
methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;6-methoxypyridine-3-carbaldehyde;6-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 162105536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).