[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate

C20H18N2O6Sn — CID 71345151

IUPAC[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate
SMILESCC[Sn](OC(=O)c1ncccc1O)(OC(=O)c1ncccc1O)c1ccccc1
InChIInChI=1S/2C6H5NO3.C6H5.C2H5.Sn/c2*8-4-2-1-3-7-5(4)6(9)10;1-2-4-6-5-3-1;1-2;/h2*1-3,8H,(H,9,10);1-5H;1H2,2H3;/q;;;;+2/p-2
InChIKeySXYLCMPFUMMUQB-UHFFFAOYSA-L
MW501.08 g/mol
LogP2.27
Rot. Bonds6

About [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate

[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate (PubChem CID 71345151) has the molecular formula C20H18N2O6Sn and a molecular weight of 501.08 g/mol. Its IUPAC name is [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate.

Molecular Properties

Compound Name[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate
PubChem CID71345151
Molecular FormulaC20H18N2O6Sn
Molecular Weight501.08 g/mol
Exact Mass502.02
IUPAC Name[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate
SMILESCC[Sn](OC(=O)c1ncccc1O)(OC(=O)c1ncccc1O)c1ccccc1
InChIInChI=1S/2C6H5NO3.C6H5.C2H5.Sn/c2*8-4-2-1-3-7-5(4)6(9)10;1-2-4-6-5-3-1;1-2;/h2*1-3,8H,(H,9,10);1-5H;1H2,2H3;/q;;;;+2/p-2
InChIKeySXYLCMPFUMMUQB-UHFFFAOYSA-L
XLogP2.27
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.08
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

propyl 3-hydroxypyridine-2-carboxylate
CID 60923594
bromo 3-hydroxypyridine-2-carboxylate
CID 174630799
3-hydroxy-N-methyl-N-phenylpyridine-2-carboxamide
CID 60923476
tris(amino 3-hydroxypyridine-2-carboxylate);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173012990
N-(2-ethoxyphenyl)-3-hydroxypyridine-2-carboxamide
CID 54860891
[ethylsulfanyl-(3-hydroxy-2-pyridinyl)methylidene]carbamic acid
CID 173490555
3-hydroxypyridine-2-carbohydrazide
CID 45083058
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
2-ethyl-2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]butanoic acid
CID 113308420
3-hydroxypyridine-2-carboxylic acid;3-methoxypyridine-2-carboxylic acid;methyl 3-methoxypyridine-2-carboxylate
CID 162061282
1-(3-hydroxy-2-pyridinyl)ethanone;methyl formate
CID 142181974
ethyl 3-aminopyridine-2-carboxylate
CID 565054

Frequently Asked Questions

What is the IUPAC name of [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate?
The IUPAC name of [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate (CID 71345151) is [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate.
What is the SMILES notation for [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate?
The canonical SMILES for [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate is CC[Sn](OC(=O)c1ncccc1O)(OC(=O)c1ncccc1O)c1ccccc1.
What is the InChIKey of [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate?
The InChIKey is SXYLCMPFUMMUQB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H5NO3.C6H5.C2H5.Sn/c2*8-4-2-1-3-7-5(4)6(9)10;1-2-4-6-5-3-1;1-2;/h2*1-3,8H,(H,9,10);1-5H;1H2,2H3;/q;;;;+2/p-2.
What are the key properties of [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate?
[ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate has a molecular weight of 501.08 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-(3-hydroxypyridine-2-carbonyl)oxy-phenylstannyl] 3-hydroxypyridine-2-carboxylate is sourced from PubChem (CID 71345151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).