(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine

C9H8BrN3 — CID 137262829

IUPAC(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
SMILESN/N=C/c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrN3/c10-7-2-1-3-8-9(7)6(4-12-8)5-13-11/h1-5,12H,11H2/b13-5+
InChIKeyNTVQALOFYLWKRZ-WLRTZDKTSA-N
MW238.09 g/mol
LogP2.22
Rot. Bonds1

About (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine

(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine (PubChem CID 137262829) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine.

Molecular Properties

Compound Name(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
PubChem CID137262829
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine
SMILESN/N=C/c1c[nH]c2cccc(Br)c12
InChIInChI=1S/C9H8BrN3/c10-7-2-1-3-8-9(7)6(4-12-8)5-13-11/h1-5,12H,11H2/b13-5+
InChIKeyNTVQALOFYLWKRZ-WLRTZDKTSA-N
XLogP2.22
TPSA54.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.22
H-Bond Donors ≤ 52
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 (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine?
The IUPAC name of (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine (CID 137262829) is (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine.
What is the SMILES notation for (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine?
The canonical SMILES for (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine is N/N=C/c1c[nH]c2cccc(Br)c12.
What is the InChIKey of (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine?
The InChIKey is NTVQALOFYLWKRZ-WLRTZDKTSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-2-1-3-8-9(7)6(4-12-8)5-13-11/h1-5,12H,11H2/b13-5+.
What are the key properties of (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine?
(E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine has a molecular weight of 238.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(4-bromo-1H-indol-3-yl)methylidenehydrazine is sourced from PubChem (CID 137262829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).