5-bromo-2H-pyridine-2,5-diamine

C5H8BrN3 — CID 90384142

IUPAC5-bromo-2H-pyridine-2,5-diamine
SMILESNC1C=CC(N)(Br)C=N1
InChIInChI=1S/C5H8BrN3/c6-5(8)2-1-4(7)9-3-5/h1-4H,7-8H2
InChIKeyMSHPXWCLEHFKMX-UHFFFAOYSA-N
MW190.04 g/mol
LogP-0.04
Rot. Bonds

About 5-bromo-2H-pyridine-2,5-diamine

5-bromo-2H-pyridine-2,5-diamine (PubChem CID 90384142) has the molecular formula C5H8BrN3 and a molecular weight of 190.04 g/mol. Its IUPAC name is 5-bromo-2H-pyridine-2,5-diamine.

Molecular Properties

Compound Name5-bromo-2H-pyridine-2,5-diamine
PubChem CID90384142
Molecular FormulaC5H8BrN3
Molecular Weight190.04 g/mol
Exact Mass188.99
IUPAC Name5-bromo-2H-pyridine-2,5-diamine
SMILESNC1C=CC(N)(Br)C=N1
InChIInChI=1S/C5H8BrN3/c6-5(8)2-1-4(7)9-3-5/h1-4H,7-8H2
InChIKeyMSHPXWCLEHFKMX-UHFFFAOYSA-N
XLogP-0.04
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.04
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2H-pyridine-2,5-diamine?
The IUPAC name of 5-bromo-2H-pyridine-2,5-diamine (CID 90384142) is 5-bromo-2H-pyridine-2,5-diamine.
What is the SMILES notation for 5-bromo-2H-pyridine-2,5-diamine?
The canonical SMILES for 5-bromo-2H-pyridine-2,5-diamine is NC1C=CC(N)(Br)C=N1.
What is the InChIKey of 5-bromo-2H-pyridine-2,5-diamine?
The InChIKey is MSHPXWCLEHFKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrN3/c6-5(8)2-1-4(7)9-3-5/h1-4H,7-8H2.
What are the key properties of 5-bromo-2H-pyridine-2,5-diamine?
5-bromo-2H-pyridine-2,5-diamine has a molecular weight of 190.04 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2H-pyridine-2,5-diamine is sourced from PubChem (CID 90384142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).