(5-bromo-3H-pyridin-2-ylidene)hydrazine

C5H6BrN3 — CID 118617218

IUPAC(5-bromo-3H-pyridin-2-ylidene)hydrazine
SMILESNN=C1CC=C(Br)C=N1
InChIInChI=1S/C5H6BrN3/c6-4-1-2-5(9-7)8-3-4/h1,3H,2,7H2
InChIKeyHPXSBILZYJMKKZ-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.01
Rot. Bonds

About (5-bromo-3H-pyridin-2-ylidene)hydrazine

(5-bromo-3H-pyridin-2-ylidene)hydrazine (PubChem CID 118617218) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is (5-bromo-3H-pyridin-2-ylidene)hydrazine.

Molecular Properties

Compound Name(5-bromo-3H-pyridin-2-ylidene)hydrazine
PubChem CID118617218
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name(5-bromo-3H-pyridin-2-ylidene)hydrazine
SMILESNN=C1CC=C(Br)C=N1
InChIInChI=1S/C5H6BrN3/c6-4-1-2-5(9-7)8-3-4/h1,3H,2,7H2
InChIKeyHPXSBILZYJMKKZ-UHFFFAOYSA-N
XLogP1.01
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3H-pyridin-2-ylidene)hydrazine?
The IUPAC name of (5-bromo-3H-pyridin-2-ylidene)hydrazine (CID 118617218) is (5-bromo-3H-pyridin-2-ylidene)hydrazine.
What is the SMILES notation for (5-bromo-3H-pyridin-2-ylidene)hydrazine?
The canonical SMILES for (5-bromo-3H-pyridin-2-ylidene)hydrazine is NN=C1CC=C(Br)C=N1.
What is the InChIKey of (5-bromo-3H-pyridin-2-ylidene)hydrazine?
The InChIKey is HPXSBILZYJMKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c6-4-1-2-5(9-7)8-3-4/h1,3H,2,7H2.
What are the key properties of (5-bromo-3H-pyridin-2-ylidene)hydrazine?
(5-bromo-3H-pyridin-2-ylidene)hydrazine has a molecular weight of 188.03 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3H-pyridin-2-ylidene)hydrazine is sourced from PubChem (CID 118617218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).