4-bromopyridine-2,6-diamine

C5H6BrN3 — CID 11435393

IUPAC4-bromopyridine-2,6-diamine
SMILESNc1cc(Br)cc(N)n1
InChIInChI=1S/C5H6BrN3/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H4,7,8,9)
InChIKeyKXHPZYVKCDTIHE-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.01
Rot. Bonds

About 4-bromopyridine-2,6-diamine

4-bromopyridine-2,6-diamine (PubChem CID 11435393) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 4-bromopyridine-2,6-diamine.

Molecular Properties

Compound Name4-bromopyridine-2,6-diamine
PubChem CID11435393
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name4-bromopyridine-2,6-diamine
SMILESNc1cc(Br)cc(N)n1
InChIInChI=1S/C5H6BrN3/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H4,7,8,9)
InChIKeyKXHPZYVKCDTIHE-UHFFFAOYSA-N
XLogP1.01
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromopyridine-2,6-diamine?
The IUPAC name of 4-bromopyridine-2,6-diamine (CID 11435393) is 4-bromopyridine-2,6-diamine.
What is the SMILES notation for 4-bromopyridine-2,6-diamine?
The canonical SMILES for 4-bromopyridine-2,6-diamine is Nc1cc(Br)cc(N)n1.
What is the InChIKey of 4-bromopyridine-2,6-diamine?
The InChIKey is KXHPZYVKCDTIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H4,7,8,9).
What are the key properties of 4-bromopyridine-2,6-diamine?
4-bromopyridine-2,6-diamine has a molecular weight of 188.03 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridine-2,6-diamine is sourced from PubChem (CID 11435393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).