N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine

C16H19F3N2Sn — CID 164562851

IUPACN-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESCc1ccccc1Nc1nc(C(F)(F)F)ccc1[Sn](C)(C)C
InChIInChI=1S/C13H10F3N2.3CH3.Sn/c1-9-5-2-3-6-10(9)17-12-8-4-7-11(18-12)13(14,15)16;;;;/h2-7H,1H3,(H,17,18);3*1H3;
InChIKeyBSLJLQSDYRFWNY-UHFFFAOYSA-N
MW415.05 g/mol
LogP4.70
Rot. Bonds3

About N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine

N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (PubChem CID 164562851) has the molecular formula C16H19F3N2Sn and a molecular weight of 415.05 g/mol. Its IUPAC name is N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
PubChem CID164562851
Molecular FormulaC16H19F3N2Sn
Molecular Weight415.05 g/mol
Exact Mass416.05
IUPAC NameN-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESCc1ccccc1Nc1nc(C(F)(F)F)ccc1[Sn](C)(C)C
InChIInChI=1S/C13H10F3N2.3CH3.Sn/c1-9-5-2-3-6-10(9)17-12-8-4-7-11(18-12)13(14,15)16;;;;/h2-7H,1H3,(H,17,18);3*1H3;
InChIKeyBSLJLQSDYRFWNY-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.05
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The IUPAC name of N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (CID 164562851) is N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The canonical SMILES for N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is Cc1ccccc1Nc1nc(C(F)(F)F)ccc1[Sn](C)(C)C.
What is the InChIKey of N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The InChIKey is BSLJLQSDYRFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N2.3CH3.Sn/c1-9-5-2-3-6-10(9)17-12-8-4-7-11(18-12)13(14,15)16;;;;/h2-7H,1H3,(H,17,18);3*1H3;.
What are the key properties of N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine has a molecular weight of 415.05 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is sourced from PubChem (CID 164562851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).