N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine

C15H15ClF4N2Sn — CID 164562874

IUPACN-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESC[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1cccc(F)c1Cl
InChIInChI=1S/C12H6ClF4N2.3CH3.Sn/c13-11-7(14)3-1-4-8(11)18-10-6-2-5-9(19-10)12(15,16)17;;;;/h1-5H,(H,18,19);3*1H3;
InChIKeyBIMFKWVAXLBPGN-UHFFFAOYSA-N
MW453.46 g/mol
LogP5.18
Rot. Bonds3

About N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine

N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (PubChem CID 164562874) has the molecular formula C15H15ClF4N2Sn and a molecular weight of 453.46 g/mol. Its IUPAC name is N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
PubChem CID164562874
Molecular FormulaC15H15ClF4N2Sn
Molecular Weight453.46 g/mol
Exact Mass453.99
IUPAC NameN-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESC[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1cccc(F)c1Cl
InChIInChI=1S/C12H6ClF4N2.3CH3.Sn/c13-11-7(14)3-1-4-8(11)18-10-6-2-5-9(19-10)12(15,16)17;;;;/h1-5H,(H,18,19);3*1H3;
InChIKeyBIMFKWVAXLBPGN-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The IUPAC name of N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (CID 164562874) is N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.
What is the SMILES notation for N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The canonical SMILES for N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is C[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1cccc(F)c1Cl.
What is the InChIKey of N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The InChIKey is BIMFKWVAXLBPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N2.3CH3.Sn/c13-11-7(14)3-1-4-8(11)18-10-6-2-5-9(19-10)12(15,16)17;;;;/h1-5H,(H,18,19);3*1H3;.
What are the key properties of N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine has a molecular weight of 453.46 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is sourced from PubChem (CID 164562874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).