6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile

C12H16N2O3 — CID 103177589

IUPAC6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
SMILESCOCCCOCCOc1ccc(C#N)cn1
InChIInChI=1S/C12H16N2O3/c1-15-5-2-6-16-7-8-17-12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-8H2,1H3
InChIKeyLMGGXRJLEXJQDE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds8

About 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile

6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile (PubChem CID 103177589) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
PubChem CID103177589
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
SMILESCOCCCOCCOc1ccc(C#N)cn1
InChIInChI=1S/C12H16N2O3/c1-15-5-2-6-16-7-8-17-12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-8H2,1H3
InChIKeyLMGGXRJLEXJQDE-UHFFFAOYSA-N
XLogP1.39
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-[2-(3-methoxypropoxy)ethoxy]pyridin-3-amine
CID 103176771
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103179380
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
4-[2-(3-methoxypropoxy)ethoxymethyl]benzonitrile
CID 103177611
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzonitrile
CID 177395107
4-[2-(2-methoxyethoxy)ethoxy]benzonitrile
CID 43289507
N-[[6-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]propan-2-amine
CID 103180844
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile (CID 103177589) is 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile is COCCCOCCOc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile?
The InChIKey is LMGGXRJLEXJQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-15-5-2-6-16-7-8-17-12-4-3-11(9-13)10-14-12/h3-4,10H,2,5-8H2,1H3.
What are the key properties of 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile?
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile has a molecular weight of 236.27 g/mol, XLogP of 1.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 103177589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).