3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde

C18H32N2O2Sn — CID 150294147

IUPAC3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C=O)c(OC)n1
InChIInChI=1S/C6H5N2O2.3C4H9.Sn/c1-10-6-5(4-9)7-2-3-8-6;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;
InChIKeyGIFQPVRZFJQIHK-UHFFFAOYSA-N
MW427.18 g/mol
LogP4.35
Rot. Bonds12

About 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde

3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde (PubChem CID 150294147) has the molecular formula C18H32N2O2Sn and a molecular weight of 427.18 g/mol. Its IUPAC name is 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde
PubChem CID150294147
Molecular FormulaC18H32N2O2Sn
Molecular Weight427.18 g/mol
Exact Mass428.15
IUPAC Name3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde
SMILESCCCC[Sn](CCCC)(CCCC)c1cnc(C=O)c(OC)n1
InChIInChI=1S/C6H5N2O2.3C4H9.Sn/c1-10-6-5(4-9)7-2-3-8-6;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;
InChIKeyGIFQPVRZFJQIHK-UHFFFAOYSA-N
XLogP4.35
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.18
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-methoxypyrazine-2-carbaldehyde
CID 139415839
tributyl-(6-phenylmethoxypyrazin-2-yl)stannane
CID 135028210
tributyl-(4-methoxyphenyl)stannane
CID 2762547
tributyl-(6-tributylstannylpyrimidin-4-yl)stannane
CID 86280249
tributyl-(6-methylsulfonyl-2-pyridinyl)stannane
CID 59693803
3,6-dimethoxypyridazine;tributyl-(3,6-dimethoxypyridazin-4-yl)stannane
CID 161255414
N,N-diethyl-5-tributylstannylpyrazin-2-amine
CID 59694015
methyl 2-(4-tributylstannyltriazol-1-yl)acetate
CID 86711730
tributyl-[5-(2-methoxyethyl)-2-pyridinyl]stannane
CID 67415284
tributyl-(2-methylsulfonyl-1,3-thiazol-4-yl)stannane
CID 46840022
3-chloro-5-[methyl(propyl)amino]pyrazine-2-carbaldehyde
CID 86649001
N-ethyl-N-methyl-6-tributylstannylpyrazine-2-carboxamide
CID 67455068

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde?
The IUPAC name of 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde (CID 150294147) is 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde.
What is the SMILES notation for 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde?
The canonical SMILES for 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde is CCCC[Sn](CCCC)(CCCC)c1cnc(C=O)c(OC)n1.
What is the InChIKey of 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde?
The InChIKey is GIFQPVRZFJQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2O2.3C4H9.Sn/c1-10-6-5(4-9)7-2-3-8-6;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3;.
What are the key properties of 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde?
3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde has a molecular weight of 427.18 g/mol, XLogP of 4.35, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-tributylstannylpyrazine-2-carbaldehyde is sourced from PubChem (CID 150294147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).