2-iodo-5,10-dimethylphenazine

C14H13IN2 — CID 70972708

IUPAC2-iodo-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(I)ccc21
InChIInChI=1S/C14H13IN2/c1-16-11-5-3-4-6-12(11)17(2)14-9-10(15)7-8-13(14)16/h3-9H,1-2H3
InChIKeyKYFTUARLRURLHK-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.14
Rot. Bonds

About 2-iodo-5,10-dimethylphenazine

2-iodo-5,10-dimethylphenazine (PubChem CID 70972708) has the molecular formula C14H13IN2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 2-iodo-5,10-dimethylphenazine.

Molecular Properties

Compound Name2-iodo-5,10-dimethylphenazine
PubChem CID70972708
Molecular FormulaC14H13IN2
Molecular Weight336.18 g/mol
Exact Mass336.01
IUPAC Name2-iodo-5,10-dimethylphenazine
SMILESCN1c2ccccc2N(C)c2cc(I)ccc21
InChIInChI=1S/C14H13IN2/c1-16-11-5-3-4-6-12(11)17(2)14-9-10(15)7-8-13(14)16/h3-9H,1-2H3
InChIKeyKYFTUARLRURLHK-UHFFFAOYSA-N
XLogP4.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-5,10-dimethylphenazine?
The IUPAC name of 2-iodo-5,10-dimethylphenazine (CID 70972708) is 2-iodo-5,10-dimethylphenazine.
What is the SMILES notation for 2-iodo-5,10-dimethylphenazine?
The canonical SMILES for 2-iodo-5,10-dimethylphenazine is CN1c2ccccc2N(C)c2cc(I)ccc21.
What is the InChIKey of 2-iodo-5,10-dimethylphenazine?
The InChIKey is KYFTUARLRURLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2/c1-16-11-5-3-4-6-12(11)17(2)14-9-10(15)7-8-13(14)16/h3-9H,1-2H3.
What are the key properties of 2-iodo-5,10-dimethylphenazine?
2-iodo-5,10-dimethylphenazine has a molecular weight of 336.18 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5,10-dimethylphenazine is sourced from PubChem (CID 70972708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).