5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine

C13H11BrN2S — CID 16731316

IUPAC5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESNC1=NC(c2cccc(Br)c2)Cc2ccsc21
InChIInChI=1S/C13H11BrN2S/c14-10-3-1-2-8(6-10)11-7-9-4-5-17-12(9)13(15)16-11/h1-6,11H,7H2,(H2,15,16)
InChIKeyWQCFHXSHHQDQIO-UHFFFAOYSA-N
MW307.22 g/mol
LogP3.51
Rot. Bonds1

About 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine

5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine (PubChem CID 16731316) has the molecular formula C13H11BrN2S and a molecular weight of 307.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
PubChem CID16731316
Molecular FormulaC13H11BrN2S
Molecular Weight307.22 g/mol
Exact Mass305.98
IUPAC Name5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESNC1=NC(c2cccc(Br)c2)Cc2ccsc21
InChIInChI=1S/C13H11BrN2S/c14-10-3-1-2-8(6-10)11-7-9-4-5-17-12(9)13(15)16-11/h1-6,11H,7H2,(H2,15,16)
InChIKeyWQCFHXSHHQDQIO-UHFFFAOYSA-N
XLogP3.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The IUPAC name of 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine (CID 16731316) is 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine.
What is the SMILES notation for 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The canonical SMILES for 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine is NC1=NC(c2cccc(Br)c2)Cc2ccsc21.
What is the InChIKey of 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The InChIKey is WQCFHXSHHQDQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2S/c14-10-3-1-2-8(6-10)11-7-9-4-5-17-12(9)13(15)16-11/h1-6,11H,7H2,(H2,15,16).
What are the key properties of 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine has a molecular weight of 307.22 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine is sourced from PubChem (CID 16731316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).