6-tributylstannylpyridine-2-carboxylic acid

C18H31NO2Sn — CID 174892380

IUPAC6-tributylstannylpyridine-2-carboxylic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)O)n1
InChIInChI=1S/C6H4NO2.3C4H9.Sn/c8-6(9)5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H,(H,8,9);3*1,3-4H2,2H3;
InChIKeyZOSWWWPMRPBEKJ-UHFFFAOYSA-N
MW412.16 g/mol
LogP4.84
Rot. Bonds11

About 6-tributylstannylpyridine-2-carboxylic acid

6-tributylstannylpyridine-2-carboxylic acid (PubChem CID 174892380) has the molecular formula C18H31NO2Sn and a molecular weight of 412.16 g/mol. Its IUPAC name is 6-tributylstannylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-tributylstannylpyridine-2-carboxylic acid
PubChem CID174892380
Molecular FormulaC18H31NO2Sn
Molecular Weight412.16 g/mol
Exact Mass413.14
IUPAC Name6-tributylstannylpyridine-2-carboxylic acid
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)O)n1
InChIInChI=1S/C6H4NO2.3C4H9.Sn/c8-6(9)5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H,(H,8,9);3*1,3-4H2,2H3;
InChIKeyZOSWWWPMRPBEKJ-UHFFFAOYSA-N
XLogP4.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.16
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tributyl-(6-methylsulfonyl-2-pyridinyl)stannane
CID 59693803
6-[butyl(ethyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558340
6-(1-aminopentyl)pyridine-2-carboxylic acid
CID 171922233
CID 91986542
CID 91986542
6-[6-[[butyl-[[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]methyl]amino]methyl]-2-pyridinyl]pyridine-2-carboxylic acid
CID 101270404
dibutyl-pentyl-(6-pyridin-2-yl-2-pyridinyl)stannane
CID 144702950
tributyl-[6-(methoxymethoxymethyl)-2-pyridinyl]stannane
CID 67054806
6-(heptoxymethyl)pyridine-2-carboxylic acid
CID 106903282
6-[[butyl-[[6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101450118
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
1-(6-pentanoyl-2-pyridinyl)pentan-1-one
CID 169018185
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272

Frequently Asked Questions

What is the IUPAC name of 6-tributylstannylpyridine-2-carboxylic acid?
The IUPAC name of 6-tributylstannylpyridine-2-carboxylic acid (CID 174892380) is 6-tributylstannylpyridine-2-carboxylic acid.
What is the SMILES notation for 6-tributylstannylpyridine-2-carboxylic acid?
The canonical SMILES for 6-tributylstannylpyridine-2-carboxylic acid is CCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-tributylstannylpyridine-2-carboxylic acid?
The InChIKey is ZOSWWWPMRPBEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4NO2.3C4H9.Sn/c8-6(9)5-3-1-2-4-7-5;3*1-3-4-2;/h1-3H,(H,8,9);3*1,3-4H2,2H3;.
What are the key properties of 6-tributylstannylpyridine-2-carboxylic acid?
6-tributylstannylpyridine-2-carboxylic acid has a molecular weight of 412.16 g/mol, XLogP of 4.84, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tributylstannylpyridine-2-carboxylic acid is sourced from PubChem (CID 174892380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).