2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C15H12ClFN2S — CID 103048987

IUPAC2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H12ClFN2S/c16-11-1-2-12(17)9(5-11)6-13(18)10-7-15-14(19-8-10)3-4-20-15/h1-5,7-8,13H,6,18H2
InChIKeyMLPHNCOFBVBMKN-UHFFFAOYSA-N
MW306.79 g/mol
LogP4.33
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 103048987) has the molecular formula C15H12ClFN2S and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID103048987
Molecular FormulaC15H12ClFN2S
Molecular Weight306.79 g/mol
Exact Mass306.04
IUPAC Name2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1cnc2ccsc2c1
InChIInChI=1S/C15H12ClFN2S/c16-11-1-2-12(17)9(5-11)6-13(18)10-7-15-14(19-8-10)3-4-20-15/h1-5,7-8,13H,6,18H2
InChIKeyMLPHNCOFBVBMKN-UHFFFAOYSA-N
XLogP4.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 103048987) is 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is NC(Cc1cc(Cl)ccc1F)c1cnc2ccsc2c1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is MLPHNCOFBVBMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2S/c16-11-1-2-12(17)9(5-11)6-13(18)10-7-15-14(19-8-10)3-4-20-15/h1-5,7-8,13H,6,18H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 306.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 103048987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).