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

C10H7Br2N3 — CID 130114734

IUPAC3,5-dibromo-2-pyridin-4-ylpyridin-4-amine
SMILESNc1c(Br)cnc(-c2ccncc2)c1Br
InChIInChI=1S/C10H7Br2N3/c11-7-5-15-10(8(12)9(7)13)6-1-3-14-4-2-6/h1-5H,(H2,13,15)
InChIKeyWSAMQZBJMYVWAQ-UHFFFAOYSA-N
MW329.00 g/mol
LogP3.25
Rot. Bonds1

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

3,5-dibromo-2-pyridin-4-ylpyridin-4-amine (PubChem CID 130114734) has the molecular formula C10H7Br2N3 and a molecular weight of 329.00 g/mol. Its IUPAC name is 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine.

Molecular Properties

Compound Name3,5-dibromo-2-pyridin-4-ylpyridin-4-amine
PubChem CID130114734
Molecular FormulaC10H7Br2N3
Molecular Weight329.00 g/mol
Exact Mass326.90
IUPAC Name3,5-dibromo-2-pyridin-4-ylpyridin-4-amine
SMILESNc1c(Br)cnc(-c2ccncc2)c1Br
InChIInChI=1S/C10H7Br2N3/c11-7-5-15-10(8(12)9(7)13)6-1-3-14-4-2-6/h1-5H,(H2,13,15)
InChIKeyWSAMQZBJMYVWAQ-UHFFFAOYSA-N
XLogP3.25
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.00
LogP ≤ 53.25
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-pyridin-4-ylpyridin-4-amine?
The IUPAC name of 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine (CID 130114734) is 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine.
What is the SMILES notation for 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine?
The canonical SMILES for 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine is Nc1c(Br)cnc(-c2ccncc2)c1Br.
What is the InChIKey of 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine?
The InChIKey is WSAMQZBJMYVWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2N3/c11-7-5-15-10(8(12)9(7)13)6-1-3-14-4-2-6/h1-5H,(H2,13,15).
What are the key properties of 3,5-dibromo-2-pyridin-4-ylpyridin-4-amine?
3,5-dibromo-2-pyridin-4-ylpyridin-4-amine has a molecular weight of 329.00 g/mol, XLogP of 3.25, 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-pyridin-4-ylpyridin-4-amine is sourced from PubChem (CID 130114734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).