3-iodo-2-methanimidoylaniline

C7H7IN2 — CID 147995375

IUPAC3-iodo-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cccc1I
InChIInChI=1S/C7H7IN2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,9H,10H2/b9-4+
InChIKeyIVWZFVWOLMHKAD-RUDMXATFSA-N
MW246.05 g/mol
LogP1.87
Rot. Bonds1

About 3-iodo-2-methanimidoylaniline

3-iodo-2-methanimidoylaniline (PubChem CID 147995375) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is 3-iodo-2-methanimidoylaniline.

Molecular Properties

Compound Name3-iodo-2-methanimidoylaniline
PubChem CID147995375
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC Name3-iodo-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cccc1I
InChIInChI=1S/C7H7IN2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,9H,10H2/b9-4+
InChIKeyIVWZFVWOLMHKAD-RUDMXATFSA-N
XLogP1.87
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoylbenzene-1,3-diamine
CID 88563224
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284
2-methanimidoyl-3-prop-1-en-2-ylaniline
CID 169152001
(2-iodophenyl)methanimine
CID 91565501
6-(3-amino-2-methanimidoylphenyl)pyridine-2-carbothioamide
CID 145401444
2-methanimidoyl-3-(4-methylsulfanylpiperazin-1-yl)aniline
CID 145076040
N-(3-amino-2-methanimidoylphenyl)-2-methylpropanamide
CID 156811982
4-N-(3-amino-2-methanimidoylphenyl)pyrimidine-2,4-diamine
CID 143557825
3-chloro-2-methanimidoyl-4-methylaniline
CID 89070323
3-(2-aminophenyl)-2-methanimidoyl-N-phenylaniline
CID 144892818
2-methanimidoyl-3-[4-(methylaminosulfanyl)piperazin-1-yl]aniline
CID 145076014
2-methanimidoyl-3-(1-methylsulfonylpiperidin-4-yl)aniline
CID 145075673

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-methanimidoylaniline?
The IUPAC name of 3-iodo-2-methanimidoylaniline (CID 147995375) is 3-iodo-2-methanimidoylaniline.
What is the SMILES notation for 3-iodo-2-methanimidoylaniline?
The canonical SMILES for 3-iodo-2-methanimidoylaniline is [H]/N=C/c1c(N)cccc1I.
What is the InChIKey of 3-iodo-2-methanimidoylaniline?
The InChIKey is IVWZFVWOLMHKAD-RUDMXATFSA-N. The full InChI is InChI=1S/C7H7IN2/c8-6-2-1-3-7(10)5(6)4-9/h1-4,9H,10H2/b9-4+.
What are the key properties of 3-iodo-2-methanimidoylaniline?
3-iodo-2-methanimidoylaniline has a molecular weight of 246.05 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methanimidoylaniline is sourced from PubChem (CID 147995375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).