3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C12H9Cl2F3N2S — CID 63541342

IUPAC3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2F3N2S/c1-6(9-2-3-10(14)20-9)19-11-8(13)4-7(5-18-11)12(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeySYSJYDNLJUQLCD-UHFFFAOYSA-N
MW341.19 g/mol
LogP5.64
Rot. Bonds3

About 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 63541342) has the molecular formula C12H9Cl2F3N2S and a molecular weight of 341.19 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID63541342
Molecular FormulaC12H9Cl2F3N2S
Molecular Weight341.19 g/mol
Exact Mass339.98
IUPAC Name3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)s1
InChIInChI=1S/C12H9Cl2F3N2S/c1-6(9-2-3-10(14)20-9)19-11-8(13)4-7(5-18-11)12(15,16)17/h2-6H,1H3,(H,18,19)
InChIKeySYSJYDNLJUQLCD-UHFFFAOYSA-N
XLogP5.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.19
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 115681182
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63541349
N-but-3-yn-2-yl-3-chloro-5-(trifluoromethyl)pyridin-2-amine
CID 114382946
3,5-dichloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-hydrazinylpyridin-2-amine
CID 102761773
3-chloro-N-(3-methylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63541959
3-chloro-N-(3-ethylpentan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 63838693
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N,N-dimethylpropanamide
CID 94160420
N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677189
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
3-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 83180248
3-chloro-N-(dicyclopropylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60712371
2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpentane-1,2-diamine
CID 63759985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 63541342) is 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)s1.
What is the InChIKey of 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SYSJYDNLJUQLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N2S/c1-6(9-2-3-10(14)20-9)19-11-8(13)4-7(5-18-11)12(15,16)17/h2-6H,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 341.19 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 63541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).