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

C15H16ClF3N2Sn — CID 164562819

IUPACN-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESC[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1ccccc1Cl
InChIInChI=1S/C12H7ClF3N2.3CH3.Sn/c13-8-4-1-2-5-9(8)17-11-7-3-6-10(18-11)12(14,15)16;;;;/h1-6H,(H,17,18);3*1H3;
InChIKeyOUIMBQNPAXYJQZ-UHFFFAOYSA-N
MW435.47 g/mol
LogP5.04
Rot. Bonds3

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

N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (PubChem CID 164562819) has the molecular formula C15H16ClF3N2Sn and a molecular weight of 435.47 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
PubChem CID164562819
Molecular FormulaC15H16ClF3N2Sn
Molecular Weight435.47 g/mol
Exact Mass436.00
IUPAC NameN-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESC[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1ccccc1Cl
InChIInChI=1S/C12H7ClF3N2.3CH3.Sn/c13-8-4-1-2-5-9(8)17-11-7-3-6-10(18-11)12(14,15)16;;;;/h1-6H,(H,17,18);3*1H3;
InChIKeyOUIMBQNPAXYJQZ-UHFFFAOYSA-N
XLogP5.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The IUPAC name of N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (CID 164562819) is N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is C[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The InChIKey is OUIMBQNPAXYJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N2.3CH3.Sn/c13-8-4-1-2-5-9(8)17-11-7-3-6-10(18-11)12(14,15)16;;;;/h1-6H,(H,17,18);3*1H3;.
What are the key properties of N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine has a molecular weight of 435.47 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is sourced from PubChem (CID 164562819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).