6-pentoxypyridine-2-carbonitrile

C11H14N2O — CID 64594194

IUPAC6-pentoxypyridine-2-carbonitrile
SMILESCCCCCOc1cccc(C#N)n1
InChIInChI=1S/C11H14N2O/c1-2-3-4-8-14-11-7-5-6-10(9-12)13-11/h5-7H,2-4,8H2,1H3
InChIKeyCVIMZEHSODCCAD-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.52
Rot. Bonds5

About 6-pentoxypyridine-2-carbonitrile

6-pentoxypyridine-2-carbonitrile (PubChem CID 64594194) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 6-pentoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-pentoxypyridine-2-carbonitrile
PubChem CID64594194
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name6-pentoxypyridine-2-carbonitrile
SMILESCCCCCOc1cccc(C#N)n1
InChIInChI=1S/C11H14N2O/c1-2-3-4-8-14-11-7-5-6-10(9-12)13-11/h5-7H,2-4,8H2,1H3
InChIKeyCVIMZEHSODCCAD-UHFFFAOYSA-N
XLogP2.52
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(dimethylamino)propoxy]pyridine-2-carbonitrile
CID 64593617
2,6-dibutoxypyridine
CID 67437244
2-methyl-6-pentoxypyridine
CID 165358855
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
2-hexoxypyrimidine-4-carbonitrile
CID 107545762
6-(2-thiophen-2-ylethoxy)pyridine-2-carbonitrile
CID 64595177
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
6-[2-(dimethylamino)-2-methylpropoxy]pyridine-2-carbonitrile
CID 79679476
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
6-(2-methylbutan-2-yloxy)pyridine-2-carbonitrile
CID 64593798
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
6-(furan-2-ylmethoxy)pyridine-2-carbonitrile
CID 64594356

Frequently Asked Questions

What is the IUPAC name of 6-pentoxypyridine-2-carbonitrile?
The IUPAC name of 6-pentoxypyridine-2-carbonitrile (CID 64594194) is 6-pentoxypyridine-2-carbonitrile.
What is the SMILES notation for 6-pentoxypyridine-2-carbonitrile?
The canonical SMILES for 6-pentoxypyridine-2-carbonitrile is CCCCCOc1cccc(C#N)n1.
What is the InChIKey of 6-pentoxypyridine-2-carbonitrile?
The InChIKey is CVIMZEHSODCCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-3-4-8-14-11-7-5-6-10(9-12)13-11/h5-7H,2-4,8H2,1H3.
What are the key properties of 6-pentoxypyridine-2-carbonitrile?
6-pentoxypyridine-2-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentoxypyridine-2-carbonitrile is sourced from PubChem (CID 64594194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).