2-(2-butoxyethoxy)pyridine-3-carbonitrile

C12H16N2O2 — CID 29001144

IUPAC2-(2-butoxyethoxy)pyridine-3-carbonitrile
SMILESCCCCOCCOc1ncccc1C#N
InChIInChI=1S/C12H16N2O2/c1-2-3-7-15-8-9-16-12-11(10-13)5-4-6-14-12/h4-6H,2-3,7-9H2,1H3
InChIKeyJYRQRWWGEYOXGL-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds7

About 2-(2-butoxyethoxy)pyridine-3-carbonitrile

2-(2-butoxyethoxy)pyridine-3-carbonitrile (PubChem CID 29001144) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-butoxyethoxy)pyridine-3-carbonitrile
PubChem CID29001144
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(2-butoxyethoxy)pyridine-3-carbonitrile
SMILESCCCCOCCOc1ncccc1C#N
InChIInChI=1S/C12H16N2O2/c1-2-3-7-15-8-9-16-12-11(10-13)5-4-6-14-12/h4-6H,2-3,7-9H2,1H3
InChIKeyJYRQRWWGEYOXGL-UHFFFAOYSA-N
XLogP2.15
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hexoxypyridine-3-carbonitrile
CID 29001326
2-(2-butoxyethylamino)pyridine-3-carbonitrile
CID 61175093
2-[3-(2-butoxyethoxy)propoxy]benzonitrile
CID 43289686
2-(3,3-dimethylbutoxy)pyridine-3-carbonitrile
CID 66231573
2-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 54400483
2-(2-butoxyethoxy)pyridine-3-sulfonyl chloride
CID 112572976
1-[2-(2-butoxyethoxy)-3-pyridinyl]-N-methylethanamine
CID 114056646
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
4-[2-(2-butoxyethoxy)ethoxy]benzonitrile
CID 43289691
2-(2-amino-2-methylpropoxy)pyridine-3-carbonitrile
CID 64538428
2-amino-5-(2-butoxyethoxy)benzonitrile
CID 113324091
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-butoxyethoxy)pyridine-3-carbonitrile (CID 29001144) is 2-(2-butoxyethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-butoxyethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-butoxyethoxy)pyridine-3-carbonitrile is CCCCOCCOc1ncccc1C#N.
What is the InChIKey of 2-(2-butoxyethoxy)pyridine-3-carbonitrile?
The InChIKey is JYRQRWWGEYOXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-7-15-8-9-16-12-11(10-13)5-4-6-14-12/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 2-(2-butoxyethoxy)pyridine-3-carbonitrile?
2-(2-butoxyethoxy)pyridine-3-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 29001144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).