N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine

C15H15ClF4N2Sn — CID 164562903

IUPACN-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESC[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H6ClF4N2.3CH3.Sn/c13-8-5-4-7(14)6-9(8)18-11-3-1-2-10(19-11)12(15,16)17;;;;/h1-2,4-6H,(H,18,19);3*1H3;
InChIKeyFCSZRROPZNTEBX-UHFFFAOYSA-N
MW453.46 g/mol
LogP5.18
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine

N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (PubChem CID 164562903) has the molecular formula C15H15ClF4N2Sn and a molecular weight of 453.46 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
PubChem CID164562903
Molecular FormulaC15H15ClF4N2Sn
Molecular Weight453.46 g/mol
Exact Mass453.99
IUPAC NameN-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine
SMILESC[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C12H6ClF4N2.3CH3.Sn/c13-8-5-4-7(14)6-9(8)18-11-3-1-2-10(19-11)12(15,16)17;;;;/h1-2,4-6H,(H,18,19);3*1H3;
InChIKeyFCSZRROPZNTEBX-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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Related Compounds

Mat2A-IN-9
CID 153608878
1-(4-Chlorophenyl)-3-(6-methylpyridin-2-yl)urea
CID 836687
N4-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2766291
(2-Chloro-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 16800373
1-(2-chloro-6-fluorophenyl)-4-(methylamino)-7-(trifluoromethyl)pyrido[2,3-d]-pyrimidin-2(1H)-one
CID 147808625
4-[(tert-butyl)amino]-1-(2-chloro-phenyl)-7-(trifluoromethyl)pyrido-[2,3-d]pyrimidin-2(1H)-one
CID 153608581
6-Chloro-N~4~-(2-chlorophenyl)pyrimidine-2,4(1H,3H)-diimine
CID 240805
2-[(2-Chlorophenyl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 661313
6-chloro-4-N-(2-fluorophenyl)pyrimidine-2,4-diamine
CID 42589456
4-N-(3,5-dichloro-4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 113977178
4-N-(3,5-dichloro-2,4-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 137642600
(4,6-Dimethylpyrimidin-2-yl)(2-chlorophenyl)amine
CID 734474

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine (CID 164562903) is N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is C[Sn](C)(C)c1ccc(C(F)(F)F)nc1Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
The InChIKey is FCSZRROPZNTEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF4N2.3CH3.Sn/c13-8-5-4-7(14)6-9(8)18-11-3-1-2-10(19-11)12(15,16)17;;;;/h1-2,4-6H,(H,18,19);3*1H3;.
What are the key properties of N-(2-chloro-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine?
N-(2-chloro-5-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-5-fluorophenyl)-6-(trifluoromethyl)-3-trimethylstannylpyridin-2-amine is sourced from PubChem (CID 164562903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).