N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide

C10H10IN3 — CID 53375374

IUPACN'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(I)cc1C#N
InChIInChI=1S/C10H10IN3/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3/b13-7+
InChIKeyMGPGHNABFYJBQY-NTUHNPAUSA-N
MW299.12 g/mol
LogP2.38
Rot. Bonds2

About N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide

N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide (PubChem CID 53375374) has the molecular formula C10H10IN3 and a molecular weight of 299.12 g/mol. Its IUPAC name is N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
PubChem CID53375374
Molecular FormulaC10H10IN3
Molecular Weight299.12 g/mol
Exact Mass298.99
IUPAC NameN'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(I)cc1C#N
InChIInChI=1S/C10H10IN3/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3/b13-7+
InChIKeyMGPGHNABFYJBQY-NTUHNPAUSA-N
XLogP2.38
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.12
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide (CID 53375374) is N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(I)cc1C#N.
What is the InChIKey of N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide?
The InChIKey is MGPGHNABFYJBQY-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H10IN3/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3/b13-7+.
What are the key properties of N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide?
N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide has a molecular weight of 299.12 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 53375374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).