2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine

C10H10I2N6 — CID 168604546

IUPAC2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine
SMILESCc1c(C#N)cc(I)c(/N=C(/N)N=C(N)N)c1I
InChIInChI=1S/C10H10I2N6/c1-4-5(3-13)2-6(11)8(7(4)12)17-10(16)18-9(14)15/h2H,1H3,(H6,14,15,16,17,18)
InChIKeyGVKMPRQEXQJLTC-UHFFFAOYSA-N
MW468.04 g/mol
LogP1.30
Rot. Bonds1

About 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine

2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine (PubChem CID 168604546) has the molecular formula C10H10I2N6 and a molecular weight of 468.04 g/mol. Its IUPAC name is 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine
PubChem CID168604546
Molecular FormulaC10H10I2N6
Molecular Weight468.04 g/mol
Exact Mass467.91
IUPAC Name2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine
SMILESCc1c(C#N)cc(I)c(/N=C(/N)N=C(N)N)c1I
InChIInChI=1S/C10H10I2N6/c1-4-5(3-13)2-6(11)8(7(4)12)17-10(16)18-9(14)15/h2H,1H3,(H6,14,15,16,17,18)
InChIKeyGVKMPRQEXQJLTC-UHFFFAOYSA-N
XLogP1.30
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.04
LogP ≤ 51.30
H-Bond Donors ≤ 53
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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Related Compounds

2-(4-cyano-2-iodophenyl)-1-(diaminomethylidene)guanidine
CID 168601531
2-(2-bromo-6-cyano-4-nitrophenyl)-1-(diaminomethylidene)guanidine
CID 168605702
1-(diaminomethylidene)-2-(2,6-dichloro-4-methylphenyl)guanidine
CID 21161372
1-(diaminomethylidene)-2-(2,6-difluoro-4-methylphenyl)guanidine
CID 21161438
2-(6-cyano-1,3-benzodioxol-5-yl)-1-(diaminomethylidene)guanidine
CID 168603494
5-(aminomethyl)-3-iodo-2-methylbenzonitrile
CID 171018497
1-(diaminomethylidene)-2-(4,6-dibromo-2-fluoro-3-methylphenyl)guanidine
CID 168605688
1-(diaminomethylidene)-2-(4,6-dibromo-3-chloro-2-methylphenyl)guanidine
CID 168601731
2-(4-bromo-2-iodo-3-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168603883
2-(4-cyano-3-ethoxyphenyl)-1-(diaminomethylidene)guanidine
CID 168603465
4-cyano-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 67741587
2-(2-cyano-4-formylphenyl)-1-(diaminomethylidene)guanidine
CID 168604976

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine (CID 168604546) is 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine is Cc1c(C#N)cc(I)c(/N=C(/N)N=C(N)N)c1I.
What is the InChIKey of 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine?
The InChIKey is GVKMPRQEXQJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I2N6/c1-4-5(3-13)2-6(11)8(7(4)12)17-10(16)18-9(14)15/h2H,1H3,(H6,14,15,16,17,18).
What are the key properties of 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine?
2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine has a molecular weight of 468.04 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-diiodo-3-methylphenyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168604546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).