5-bromopyridine-2,3-diamine;ethane

C7H12BrN3 — CID 90880932

IUPAC5-bromopyridine-2,3-diamine;ethane
SMILESCC.Nc1cc(Br)cnc1N
InChIInChI=1S/C5H6BrN3.C2H6/c6-3-1-4(7)5(8)9-2-3;1-2/h1-2H,7H2,(H2,8,9);1-2H3
InChIKeyMZLADYFSSKMBQI-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.03
Rot. Bonds

About 5-bromopyridine-2,3-diamine;ethane

5-bromopyridine-2,3-diamine;ethane (PubChem CID 90880932) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 5-bromopyridine-2,3-diamine;ethane.

Molecular Properties

Compound Name5-bromopyridine-2,3-diamine;ethane
PubChem CID90880932
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name5-bromopyridine-2,3-diamine;ethane
SMILESCC.Nc1cc(Br)cnc1N
InChIInChI=1S/C5H6BrN3.C2H6/c6-3-1-4(7)5(8)9-2-3;1-2/h1-2H,7H2,(H2,8,9);1-2H3
InChIKeyMZLADYFSSKMBQI-UHFFFAOYSA-N
XLogP2.03
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromopyridine-2,3-diamine;ethane?
The IUPAC name of 5-bromopyridine-2,3-diamine;ethane (CID 90880932) is 5-bromopyridine-2,3-diamine;ethane.
What is the SMILES notation for 5-bromopyridine-2,3-diamine;ethane?
The canonical SMILES for 5-bromopyridine-2,3-diamine;ethane is CC.Nc1cc(Br)cnc1N.
What is the InChIKey of 5-bromopyridine-2,3-diamine;ethane?
The InChIKey is MZLADYFSSKMBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3.C2H6/c6-3-1-4(7)5(8)9-2-3;1-2/h1-2H,7H2,(H2,8,9);1-2H3.
What are the key properties of 5-bromopyridine-2,3-diamine;ethane?
5-bromopyridine-2,3-diamine;ethane has a molecular weight of 218.10 g/mol, XLogP of 2.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridine-2,3-diamine;ethane is sourced from PubChem (CID 90880932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).