(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide

C4H6BrIN2 — CID 146400622

IUPAC(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C(I)=C\NC
InChIInChI=1S/C4H6BrIN2/c1-8-2-3(6)4(5)7/h2,7-8H,1H3/b3-2+,7-4-
InChIKeyQJWSOEYLTSDIIG-SWBALALESA-N
MW288.91 g/mol
LogP1.85
Rot. Bonds2

About (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide

(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide (PubChem CID 146400622) has the molecular formula C4H6BrIN2 and a molecular weight of 288.91 g/mol. Its IUPAC name is (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide.

Molecular Properties

Compound Name(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide
PubChem CID146400622
Molecular FormulaC4H6BrIN2
Molecular Weight288.91 g/mol
Exact Mass287.88
IUPAC Name(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide
SMILES[H]/N=C(Br)/C(I)=C\NC
InChIInChI=1S/C4H6BrIN2/c1-8-2-3(6)4(5)7/h2,7-8H,1H3/b3-2+,7-4-
InChIKeyQJWSOEYLTSDIIG-SWBALALESA-N
XLogP1.85
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.91
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide?
The IUPAC name of (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide (CID 146400622) is (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide.
What is the SMILES notation for (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide?
The canonical SMILES for (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide is [H]/N=C(Br)/C(I)=C\NC.
What is the InChIKey of (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide?
The InChIKey is QJWSOEYLTSDIIG-SWBALALESA-N. The full InChI is InChI=1S/C4H6BrIN2/c1-8-2-3(6)4(5)7/h2,7-8H,1H3/b3-2+,7-4-.
What are the key properties of (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide?
(E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide has a molecular weight of 288.91 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-iodo-3-(methylamino)prop-2-enimidoyl bromide is sourced from PubChem (CID 146400622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).