2,6-dibutoxypyridine

C13H21NO2 — CID 67437244

IUPAC2,6-dibutoxypyridine
SMILESCCCCOc1cccc(OCCCC)n1
InChIInChI=1S/C13H21NO2/c1-3-5-10-15-12-8-7-9-13(14-12)16-11-6-4-2/h7-9H,3-6,10-11H2,1-2H3
InChIKeyHPKKMIHLGXTUFZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.44
Rot. Bonds8

About 2,6-dibutoxypyridine

2,6-dibutoxypyridine (PubChem CID 67437244) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,6-dibutoxypyridine.

Molecular Properties

Compound Name2,6-dibutoxypyridine
PubChem CID67437244
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2,6-dibutoxypyridine
SMILESCCCCOc1cccc(OCCCC)n1
InChIInChI=1S/C13H21NO2/c1-3-5-10-15-12-8-7-9-13(14-12)16-11-6-4-2/h7-9H,3-6,10-11H2,1-2H3
InChIKeyHPKKMIHLGXTUFZ-UHFFFAOYSA-N
XLogP3.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.44
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

2-methyl-6-pentoxypyridine
CID 165358855
6-butoxy-N-ethylpyridin-2-amine
CID 80867318
6-pentoxypyridine-2-carbonitrile
CID 64594194
6-butoxy-N-tert-butylpyridin-2-amine
CID 115498673
(6-pentoxy-2-pyridinyl)methanamine
CID 62292615
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-6-fluoropyridine
CID 104561460
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
2-(chloromethyl)-6-heptoxypyridine
CID 63446220
2-butoxypyridine;carbonic acid
CID 159061563
1-(6-hexoxy-2-pyridinyl)-N-methylmethanamine
CID 62291660
3-[(6-methoxy-2-pyridinyl)oxy]propan-1-amine
CID 63586658
N-[[6-(2-butoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 55058967

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutoxypyridine?
The IUPAC name of 2,6-dibutoxypyridine (CID 67437244) is 2,6-dibutoxypyridine.
What is the SMILES notation for 2,6-dibutoxypyridine?
The canonical SMILES for 2,6-dibutoxypyridine is CCCCOc1cccc(OCCCC)n1.
What is the InChIKey of 2,6-dibutoxypyridine?
The InChIKey is HPKKMIHLGXTUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-5-10-15-12-8-7-9-13(14-12)16-11-6-4-2/h7-9H,3-6,10-11H2,1-2H3.
What are the key properties of 2,6-dibutoxypyridine?
2,6-dibutoxypyridine has a molecular weight of 223.32 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutoxypyridine is sourced from PubChem (CID 67437244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).