2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

C14H8BrF3N2S — CID 89452945

IUPAC2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1c(-c2ccc(Br)cc2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H8BrF3N2S/c15-8-3-1-7(2-4-8)12-11(19)9-5-6-10(14(16,17)18)20-13(9)21-12/h1-6H,19H2
InChIKeyNEDUKRIYEYVQMP-UHFFFAOYSA-N
MW373.20 g/mol
LogP5.33
Rot. Bonds1

About 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine

2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 89452945) has the molecular formula C14H8BrF3N2S and a molecular weight of 373.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
PubChem CID89452945
Molecular FormulaC14H8BrF3N2S
Molecular Weight373.20 g/mol
Exact Mass371.95
IUPAC Name2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1c(-c2ccc(Br)cc2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C14H8BrF3N2S/c15-8-3-1-7(2-4-8)12-11(19)9-5-6-10(14(16,17)18)20-13(9)21-12/h1-6H,19H2
InChIKeyNEDUKRIYEYVQMP-UHFFFAOYSA-N
XLogP5.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.20
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CID 89452945) is 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is Nc1c(-c2ccc(Br)cc2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is NEDUKRIYEYVQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N2S/c15-8-3-1-7(2-4-8)12-11(19)9-5-6-10(14(16,17)18)20-13(9)21-12/h1-6H,19H2.
What are the key properties of 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine?
2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 373.20 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 89452945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).