2,3-didecoxypyridine

C25H45NO2 — CID 151922374

IUPAC2,3-didecoxypyridine
SMILESCCCCCCCCCCOc1cccnc1OCCCCCCCCCC
InChIInChI=1S/C25H45NO2/c1-3-5-7-9-11-13-15-17-22-27-24-20-19-21-26-25(24)28-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3
InChIKeySXAMCCSOJZGTAF-UHFFFAOYSA-N
MW391.64 g/mol
LogP8.12
Rot. Bonds20

About 2,3-didecoxypyridine

2,3-didecoxypyridine (PubChem CID 151922374) has the molecular formula C25H45NO2 and a molecular weight of 391.64 g/mol. Its IUPAC name is 2,3-didecoxypyridine.

Molecular Properties

Compound Name2,3-didecoxypyridine
PubChem CID151922374
Molecular FormulaC25H45NO2
Molecular Weight391.64 g/mol
Exact Mass391.35
IUPAC Name2,3-didecoxypyridine
SMILESCCCCCCCCCCOc1cccnc1OCCCCCCCCCC
InChIInChI=1S/C25H45NO2/c1-3-5-7-9-11-13-15-17-22-27-24-20-19-21-26-25(24)28-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3
InChIKeySXAMCCSOJZGTAF-UHFFFAOYSA-N
XLogP8.12
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 58.12
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

2,3-bis(4-bromobutoxy)pyridine
CID 139649131
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
2-hexoxypyridine-3-carbonitrile
CID 29001326
(3-pentoxy-2-pyridinyl)hydrazine
CID 55281396
2-pentoxypyridine-3-carbaldehyde
CID 11622489
3-decoxy-2-nitropyridine
CID 152620226
2-hexoxypyridine-3-sulfonamide
CID 112572977
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913

Frequently Asked Questions

What is the IUPAC name of 2,3-didecoxypyridine?
The IUPAC name of 2,3-didecoxypyridine (CID 151922374) is 2,3-didecoxypyridine.
What is the SMILES notation for 2,3-didecoxypyridine?
The canonical SMILES for 2,3-didecoxypyridine is CCCCCCCCCCOc1cccnc1OCCCCCCCCCC.
What is the InChIKey of 2,3-didecoxypyridine?
The InChIKey is SXAMCCSOJZGTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45NO2/c1-3-5-7-9-11-13-15-17-22-27-24-20-19-21-26-25(24)28-23-18-16-14-12-10-8-6-4-2/h19-21H,3-18,22-23H2,1-2H3.
What are the key properties of 2,3-didecoxypyridine?
2,3-didecoxypyridine has a molecular weight of 391.64 g/mol, XLogP of 8.12, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didecoxypyridine is sourced from PubChem (CID 151922374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).