5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine

C14H9F3N2S — CID 115113656

IUPAC5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc3ccc(C(F)(F)F)cc3s2)cn1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)10-3-1-8-5-11(20-12(8)6-10)9-2-4-13(18)19-7-9/h1-7H,(H2,18,19)
InChIKeyQCQRUXGGQWNTDF-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.56
Rot. Bonds1

About 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine

5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine (PubChem CID 115113656) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine
PubChem CID115113656
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2cc3ccc(C(F)(F)F)cc3s2)cn1
InChIInChI=1S/C14H9F3N2S/c15-14(16,17)10-3-1-8-5-11(20-12(8)6-10)9-2-4-13(18)19-7-9/h1-7H,(H2,18,19)
InChIKeyQCQRUXGGQWNTDF-UHFFFAOYSA-N
XLogP4.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
5-(4-Pyridin-3-ylthiophen-2-yl)pyridin-2-amine
CID 145991505
4-(5-Chloro-3-methylbenzo[b]thiophen-2-yl)pyridin-2-amine
CID 24878164
3,5-Difluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine-2,6-diamine
CID 118903771
3,5,6-Trifluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridin-2-amine
CID 118911853
(6-Pyridin-3-yl-1-benzothiophen-2-yl)methanamine
CID 134340568
3-Phenylthieno[3,2-c]pyridin-4-amine
CID 44425581
Thieno[3,2-c]pyridin-4-amine
CID 17760892
1-[(3-Methyl-1-benzothiophen-2-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 2813358
3-{[(1-benzothien-2-ylmethyl)amino]methyl}-N,N-diethyl-2-pyridinamine
CID 28393533
N-(2,3-Dimethyl-1-benzothiophen-7-yl)pyridin-2-amine
CID 44428622
(2-Phenyl-[1,3]thiazolo[3,2-a]pyridin-4-ium-3-yl)azanide;hydrobromide
CID 45266213

Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine?
The IUPAC name of 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine (CID 115113656) is 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine is Nc1ccc(-c2cc3ccc(C(F)(F)F)cc3s2)cn1.
What is the InChIKey of 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine?
The InChIKey is QCQRUXGGQWNTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c15-14(16,17)10-3-1-8-5-11(20-12(8)6-10)9-2-4-13(18)19-7-9/h1-7H,(H2,18,19).
What are the key properties of 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine?
5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine has a molecular weight of 294.30 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyridin-2-amine is sourced from PubChem (CID 115113656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).