4-tributylstannylpyridine-3-carbaldehyde

C18H31NOSn — CID 3720216

IUPAC4-tributylstannylpyridine-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1ccncc1C=O
InChIInChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3;
InChIKeyCQDQKSXEFDNNNH-UHFFFAOYSA-N
MW396.16 g/mol
LogP4.95
Rot. Bonds11

About 4-tributylstannylpyridine-3-carbaldehyde

4-tributylstannylpyridine-3-carbaldehyde (PubChem CID 3720216) has the molecular formula C18H31NOSn and a molecular weight of 396.16 g/mol. Its IUPAC name is 4-tributylstannylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-tributylstannylpyridine-3-carbaldehyde
PubChem CID3720216
Molecular FormulaC18H31NOSn
Molecular Weight396.16 g/mol
Exact Mass397.14
IUPAC Name4-tributylstannylpyridine-3-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1ccncc1C=O
InChIInChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3;
InChIKeyCQDQKSXEFDNNNH-UHFFFAOYSA-N
XLogP4.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.16
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tributylstannylpyridine-3-carbaldehyde?
The IUPAC name of 4-tributylstannylpyridine-3-carbaldehyde (CID 3720216) is 4-tributylstannylpyridine-3-carbaldehyde.
What is the SMILES notation for 4-tributylstannylpyridine-3-carbaldehyde?
The canonical SMILES for 4-tributylstannylpyridine-3-carbaldehyde is CCCC[Sn](CCCC)(CCCC)c1ccncc1C=O.
What is the InChIKey of 4-tributylstannylpyridine-3-carbaldehyde?
The InChIKey is CQDQKSXEFDNNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO.3C4H9.Sn/c8-5-6-2-1-3-7-4-6;3*1-3-4-2;/h1,3-5H;3*1,3-4H2,2H3;.
What are the key properties of 4-tributylstannylpyridine-3-carbaldehyde?
4-tributylstannylpyridine-3-carbaldehyde has a molecular weight of 396.16 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tributylstannylpyridine-3-carbaldehyde is sourced from PubChem (CID 3720216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).