N-(2-aminophenyl)methanimidoyl iodide

C7H7IN2 — CID 88582390

IUPACN-(2-aminophenyl)methanimidoyl iodide
SMILESNc1ccccc1/N=C/I
InChIInChI=1S/C7H7IN2/c8-5-10-7-4-2-1-3-6(7)9/h1-5H,9H2/b10-5+
InChIKeyUBUPCCSPKRMAEF-BJMVGYQFSA-N
MW246.05 g/mol
LogP2.36
Rot. Bonds1

About N-(2-aminophenyl)methanimidoyl iodide

N-(2-aminophenyl)methanimidoyl iodide (PubChem CID 88582390) has the molecular formula C7H7IN2 and a molecular weight of 246.05 g/mol. Its IUPAC name is N-(2-aminophenyl)methanimidoyl iodide.

Molecular Properties

Compound NameN-(2-aminophenyl)methanimidoyl iodide
PubChem CID88582390
Molecular FormulaC7H7IN2
Molecular Weight246.05 g/mol
Exact Mass245.97
IUPAC NameN-(2-aminophenyl)methanimidoyl iodide
SMILESNc1ccccc1/N=C/I
InChIInChI=1S/C7H7IN2/c8-5-10-7-4-2-1-3-6(7)9/h1-5H,9H2/b10-5+
InChIKeyUBUPCCSPKRMAEF-BJMVGYQFSA-N
XLogP2.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.05
LogP ≤ 52.36
H-Bond Donors ≤ 51
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

CID 21144076
CID 21144076
2-(2-aminophenyl)iminoacetic acid
CID 89155103
2-[(2-nitrosophenyl)methylideneamino]aniline
CID 59799408
4-[(2-aminophenyl)iminomethyl]benzene-1,2,3-triol
CID 172914397
2-[(4-fluorophenyl)methylideneamino]aniline
CID 21236289
2-(aminodiazenyl)aniline
CID 18792571
ethane;2-(methylideneamino)aniline
CID 177015010
(3-methylphenyl) N-(2-aminophenyl)methanimidate
CID 123802454
2-[[2-[(2-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 56927616
2-[2-(2,3-dihydro-1H-pyrazol-4-yl)ethylideneamino]aniline
CID 166994898
benzene-1,2-diamine;tetrahydrofluoride
CID 174941051
benzene-1,2-diamine;zinc
CID 70562194

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)methanimidoyl iodide?
The IUPAC name of N-(2-aminophenyl)methanimidoyl iodide (CID 88582390) is N-(2-aminophenyl)methanimidoyl iodide.
What is the SMILES notation for N-(2-aminophenyl)methanimidoyl iodide?
The canonical SMILES for N-(2-aminophenyl)methanimidoyl iodide is Nc1ccccc1/N=C/I.
What is the InChIKey of N-(2-aminophenyl)methanimidoyl iodide?
The InChIKey is UBUPCCSPKRMAEF-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H7IN2/c8-5-10-7-4-2-1-3-6(7)9/h1-5H,9H2/b10-5+.
What are the key properties of N-(2-aminophenyl)methanimidoyl iodide?
N-(2-aminophenyl)methanimidoyl iodide has a molecular weight of 246.05 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)methanimidoyl iodide is sourced from PubChem (CID 88582390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).