2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine

C8H10IN3 — CID 146622314

IUPAC2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine
SMILES[H]/N=C/c1ccc(N)c(I)c1NC
InChIInChI=1S/C8H10IN3/c1-12-8-5(4-10)2-3-6(11)7(8)9/h2-4,10,12H,11H2,1H3/b10-4+
InChIKeyLEILIBNDQPARKO-ONNFQVAWSA-N
MW275.09 g/mol
LogP1.91
Rot. Bonds2

About 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine

2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine (PubChem CID 146622314) has the molecular formula C8H10IN3 and a molecular weight of 275.09 g/mol. Its IUPAC name is 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine
PubChem CID146622314
Molecular FormulaC8H10IN3
Molecular Weight275.09 g/mol
Exact Mass274.99
IUPAC Name2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine
SMILES[H]/N=C/c1ccc(N)c(I)c1NC
InChIInChI=1S/C8H10IN3/c1-12-8-5(4-10)2-3-6(11)7(8)9/h2-4,10,12H,11H2,1H3/b10-4+
InChIKeyLEILIBNDQPARKO-ONNFQVAWSA-N
XLogP1.91
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine (CID 146622314) is 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine is [H]/N=C/c1ccc(N)c(I)c1NC.
What is the InChIKey of 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine?
The InChIKey is LEILIBNDQPARKO-ONNFQVAWSA-N. The full InChI is InChI=1S/C8H10IN3/c1-12-8-5(4-10)2-3-6(11)7(8)9/h2-4,10,12H,11H2,1H3/b10-4+.
What are the key properties of 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine?
2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine has a molecular weight of 275.09 g/mol, XLogP of 1.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methanimidoyl-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 146622314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).