3,5-dibromo-2-thiophen-3-ylpyridin-4-amine

C9H6Br2N2S — CID 130114728

IUPAC3,5-dibromo-2-thiophen-3-ylpyridin-4-amine
SMILESNc1c(Br)cnc(-c2ccsc2)c1Br
InChIInChI=1S/C9H6Br2N2S/c10-6-3-13-9(7(11)8(6)12)5-1-2-14-4-5/h1-4H,(H2,12,13)
InChIKeyCRAVUGJNLAWLMM-UHFFFAOYSA-N
MW334.04 g/mol
LogP3.92
Rot. Bonds1

About 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine

3,5-dibromo-2-thiophen-3-ylpyridin-4-amine (PubChem CID 130114728) has the molecular formula C9H6Br2N2S and a molecular weight of 334.04 g/mol. Its IUPAC name is 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine.

Molecular Properties

Compound Name3,5-dibromo-2-thiophen-3-ylpyridin-4-amine
PubChem CID130114728
Molecular FormulaC9H6Br2N2S
Molecular Weight334.04 g/mol
Exact Mass331.86
IUPAC Name3,5-dibromo-2-thiophen-3-ylpyridin-4-amine
SMILESNc1c(Br)cnc(-c2ccsc2)c1Br
InChIInChI=1S/C9H6Br2N2S/c10-6-3-13-9(7(11)8(6)12)5-1-2-14-4-5/h1-4H,(H2,12,13)
InChIKeyCRAVUGJNLAWLMM-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine?
The IUPAC name of 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine (CID 130114728) is 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine.
What is the SMILES notation for 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine?
The canonical SMILES for 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine is Nc1c(Br)cnc(-c2ccsc2)c1Br.
What is the InChIKey of 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine?
The InChIKey is CRAVUGJNLAWLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2S/c10-6-3-13-9(7(11)8(6)12)5-1-2-14-4-5/h1-4H,(H2,12,13).
What are the key properties of 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine?
3,5-dibromo-2-thiophen-3-ylpyridin-4-amine has a molecular weight of 334.04 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-2-thiophen-3-ylpyridin-4-amine is sourced from PubChem (CID 130114728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).