(6-bromo-3-pyridinyl)methylhydrazine

C6H8BrN3 — CID 53416663

IUPAC(6-bromo-3-pyridinyl)methylhydrazine
SMILESNNCc1ccc(Br)nc1
InChIInChI=1S/C6H8BrN3/c7-6-2-1-5(3-9-6)4-10-8/h1-3,10H,4,8H2
InChIKeyNIEBXDWDHATXNJ-UHFFFAOYSA-N
MW202.06 g/mol
LogP0.81
Rot. Bonds2

About (6-bromo-3-pyridinyl)methylhydrazine

(6-bromo-3-pyridinyl)methylhydrazine (PubChem CID 53416663) has the molecular formula C6H8BrN3 and a molecular weight of 202.06 g/mol. Its IUPAC name is (6-bromo-3-pyridinyl)methylhydrazine.

Molecular Properties

Compound Name(6-bromo-3-pyridinyl)methylhydrazine
PubChem CID53416663
Molecular FormulaC6H8BrN3
Molecular Weight202.06 g/mol
Exact Mass200.99
IUPAC Name(6-bromo-3-pyridinyl)methylhydrazine
SMILESNNCc1ccc(Br)nc1
InChIInChI=1S/C6H8BrN3/c7-6-2-1-5(3-9-6)4-10-8/h1-3,10H,4,8H2
InChIKeyNIEBXDWDHATXNJ-UHFFFAOYSA-N
XLogP0.81
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (6-bromo-3-pyridinyl)methylhydrazine?
The IUPAC name of (6-bromo-3-pyridinyl)methylhydrazine (CID 53416663) is (6-bromo-3-pyridinyl)methylhydrazine.
What is the SMILES notation for (6-bromo-3-pyridinyl)methylhydrazine?
The canonical SMILES for (6-bromo-3-pyridinyl)methylhydrazine is NNCc1ccc(Br)nc1.
What is the InChIKey of (6-bromo-3-pyridinyl)methylhydrazine?
The InChIKey is NIEBXDWDHATXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3/c7-6-2-1-5(3-9-6)4-10-8/h1-3,10H,4,8H2.
What are the key properties of (6-bromo-3-pyridinyl)methylhydrazine?
(6-bromo-3-pyridinyl)methylhydrazine has a molecular weight of 202.06 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-pyridinyl)methylhydrazine is sourced from PubChem (CID 53416663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).