5-bromo-4-N-ethylpyridine-3,4-diamine

C7H10BrN3 — CID 24903729

IUPAC5-bromo-4-N-ethylpyridine-3,4-diamine
SMILESCCNc1c(N)cncc1Br
InChIInChI=1S/C7H10BrN3/c1-2-11-7-5(8)3-10-4-6(7)9/h3-4H,2,9H2,1H3,(H,10,11)
InChIKeyGMVUJEJUOUSPCP-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.86
Rot. Bonds2

About 5-bromo-4-N-ethylpyridine-3,4-diamine

5-bromo-4-N-ethylpyridine-3,4-diamine (PubChem CID 24903729) has the molecular formula C7H10BrN3 and a molecular weight of 216.08 g/mol. Its IUPAC name is 5-bromo-4-N-ethylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-ethylpyridine-3,4-diamine
PubChem CID24903729
Molecular FormulaC7H10BrN3
Molecular Weight216.08 g/mol
Exact Mass215.01
IUPAC Name5-bromo-4-N-ethylpyridine-3,4-diamine
SMILESCCNc1c(N)cncc1Br
InChIInChI=1S/C7H10BrN3/c1-2-11-7-5(8)3-10-4-6(7)9/h3-4H,2,9H2,1H3,(H,10,11)
InChIKeyGMVUJEJUOUSPCP-UHFFFAOYSA-N
XLogP1.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-ethylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-ethylpyridine-3,4-diamine (CID 24903729) is 5-bromo-4-N-ethylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-ethylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-ethylpyridine-3,4-diamine is CCNc1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-ethylpyridine-3,4-diamine?
The InChIKey is GMVUJEJUOUSPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3/c1-2-11-7-5(8)3-10-4-6(7)9/h3-4H,2,9H2,1H3,(H,10,11).
What are the key properties of 5-bromo-4-N-ethylpyridine-3,4-diamine?
5-bromo-4-N-ethylpyridine-3,4-diamine has a molecular weight of 216.08 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-ethylpyridine-3,4-diamine is sourced from PubChem (CID 24903729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).