10-methylacridin-10-ium iodide

C14H12IN — CID 2849401

IUPAC10-methylacridin-10-ium iodide
SMILESC[n+]1c2ccccc2cc2ccccc21.[I-]
InChIInChI=1S/C14H12N.HI/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;/h2-10H,1H3;1H/q+1;/p-1
InChIKeyBJHOZJGCQBGXHT-UHFFFAOYSA-M
MW321.16 g/mol
LogP-0.18
Rot. Bonds

About 10-methylacridin-10-ium iodide

10-methylacridin-10-ium iodide (PubChem CID 2849401) has the molecular formula C14H12IN and a molecular weight of 321.16 g/mol. Its IUPAC name is 10-methylacridin-10-ium iodide.

Molecular Properties

Compound Name10-methylacridin-10-ium iodide
PubChem CID2849401
Molecular FormulaC14H12IN
Molecular Weight321.16 g/mol
Exact Mass321.00
IUPAC Name10-methylacridin-10-ium iodide
SMILESC[n+]1c2ccccc2cc2ccccc21.[I-]
InChIInChI=1S/C14H12N.HI/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;/h2-10H,1H3;1H/q+1;/p-1
InChIKeyBJHOZJGCQBGXHT-UHFFFAOYSA-M
XLogP-0.18
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methylacridin-10-ium iodide?
The IUPAC name of 10-methylacridin-10-ium iodide (CID 2849401) is 10-methylacridin-10-ium iodide.
What is the SMILES notation for 10-methylacridin-10-ium iodide?
The canonical SMILES for 10-methylacridin-10-ium iodide is C[n+]1c2ccccc2cc2ccccc21.[I-].
What is the InChIKey of 10-methylacridin-10-ium iodide?
The InChIKey is BJHOZJGCQBGXHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N.HI/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15;/h2-10H,1H3;1H/q+1;/p-1.
What are the key properties of 10-methylacridin-10-ium iodide?
10-methylacridin-10-ium iodide has a molecular weight of 321.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylacridin-10-ium iodide is sourced from PubChem (CID 2849401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).