N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C12H11F3N2OS — CID 43677171

IUPACN-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2cccs2)cn1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-18-11-4-3-9(6-17-11)16-7-10-2-1-5-19-10/h1-6,16H,7-8H2
InChIKeyDNGIBRRSOVDQOK-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.70
Rot. Bonds5

About N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 43677171) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID43677171
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCc2cccs2)cn1
InChIInChI=1S/C12H11F3N2OS/c13-12(14,15)8-18-11-4-3-9(6-17-11)16-7-10-2-1-5-19-10/h1-6,16H,7-8H2
InChIKeyDNGIBRRSOVDQOK-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 43677171) is N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NCc2cccs2)cn1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is DNGIBRRSOVDQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c13-12(14,15)8-18-11-4-3-9(6-17-11)16-7-10-2-1-5-19-10/h1-6,16H,7-8H2.
What are the key properties of N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 288.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 43677171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).