1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine

C12H18BrN3 — CID 178076459

IUPAC1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
SMILESBrc1ccnc(NNC2CCCCCC2)c1
InChIInChI=1S/C12H18BrN3/c13-10-7-8-14-12(9-10)16-15-11-5-3-1-2-4-6-11/h7-9,11,15H,1-6H2,(H,14,16)
InChIKeyHUMOJVSJOBWESO-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.48
Rot. Bonds3

About 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine

1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine (PubChem CID 178076459) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine.

Molecular Properties

Compound Name1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
PubChem CID178076459
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
SMILESBrc1ccnc(NNC2CCCCCC2)c1
InChIInChI=1S/C12H18BrN3/c13-10-7-8-14-12(9-10)16-15-11-5-3-1-2-4-6-11/h7-9,11,15H,1-6H2,(H,14,16)
InChIKeyHUMOJVSJOBWESO-UHFFFAOYSA-N
XLogP3.48
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine?
The IUPAC name of 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine (CID 178076459) is 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine.
What is the SMILES notation for 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine?
The canonical SMILES for 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine is Brc1ccnc(NNC2CCCCCC2)c1.
What is the InChIKey of 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine?
The InChIKey is HUMOJVSJOBWESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-10-7-8-14-12(9-10)16-15-11-5-3-1-2-4-6-11/h7-9,11,15H,1-6H2,(H,14,16).
What are the key properties of 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine?
1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine has a molecular weight of 284.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine is sourced from PubChem (CID 178076459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).