6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile

C18H17N3O2 — CID 150538263

IUPAC6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCCCCOc2ccc(C#N)cn2)cc1
InChIInChI=1S/C18H17N3O2/c19-12-15-4-7-17(8-5-15)22-10-2-1-3-11-23-18-9-6-16(13-20)14-21-18/h4-9,14H,1-3,10-11H2
InChIKeyIFHWVESHJOXDMI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds8

About 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile

6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile (PubChem CID 150538263) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
PubChem CID150538263
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
SMILESN#Cc1ccc(OCCCCCOc2ccc(C#N)cn2)cc1
InChIInChI=1S/C18H17N3O2/c19-12-15-4-7-17(8-5-15)22-10-2-1-3-11-23-18-9-6-16(13-20)14-21-18/h4-9,14H,1-3,10-11H2
InChIKeyIFHWVESHJOXDMI-UHFFFAOYSA-N
XLogP3.45
TPSA78.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.45
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

4-[5-[(5-isocyano-2-pyridinyl)oxy]pentoxy]benzonitrile
CID 164761992
5-[5-(4-cyanophenoxy)pentoxy]pyrazine-2-carbonitrile
CID 148585014
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
4-[4-[7-[4-[4-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenyl]benzonitrile
CID 15322371
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
4-decoxybenzonitrile
CID 19021371
4-(5-hydroxypentoxy)benzonitrile
CID 62228630
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589
4-[4-[7-[2-[7-[4-[4-[7-[2-[7-[4-(4-cyanophenyl)phenoxy]heptoxy]phenoxy]heptoxy]phenyl]phenoxy]heptoxy]phenoxy]heptoxy]phenyl]benzonitrile
CID 102084171
6-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 3129237
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile (CID 150538263) is 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile is N#Cc1ccc(OCCCCCOc2ccc(C#N)cn2)cc1.
What is the InChIKey of 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile?
The InChIKey is IFHWVESHJOXDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-12-15-4-7-17(8-5-15)22-10-2-1-3-11-23-18-9-6-16(13-20)14-21-18/h4-9,14H,1-3,10-11H2.
What are the key properties of 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile?
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 150538263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).