2-methylisoquinolin-2-ium iodide

C10H10IN — CID 19850

IUPAC2-methylisoquinolin-2-ium iodide
SMILESC[n+]1ccc2ccccc2c1.[I-]
InChIInChI=1S/C10H10N.HI/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-8H,1H3;1H/q+1;/p-1
InChIKeyITZIDCFSZHTXJH-UHFFFAOYSA-M
MW271.10 g/mol
LogP-1.33
Rot. Bonds

About 2-methylisoquinolin-2-ium iodide

2-methylisoquinolin-2-ium iodide (PubChem CID 19850) has the molecular formula C10H10IN and a molecular weight of 271.10 g/mol. Its IUPAC name is 2-methylisoquinolin-2-ium iodide.

Molecular Properties

Compound Name2-methylisoquinolin-2-ium iodide
PubChem CID19850
Molecular FormulaC10H10IN
Molecular Weight271.10 g/mol
Exact Mass270.99
IUPAC Name2-methylisoquinolin-2-ium iodide
SMILESC[n+]1ccc2ccccc2c1.[I-]
InChIInChI=1S/C10H10N.HI/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-8H,1H3;1H/q+1;/p-1
InChIKeyITZIDCFSZHTXJH-UHFFFAOYSA-M
XLogP-1.33
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Paraquat dichloride
CID 15938
(+-)-Dimethindene
CID 21855
Quinoline
CID 7047
Pheniramine
CID 4761
Paraquat
CID 15939
6-Methylquinoline
CID 7059
Isoquinoline
CID 8405
4-Phenylpyridine
CID 13651
4-Methylquinoline
CID 10285
3-Ethylpyridine
CID 10823
5-Aminoisoquinoline
CID 70766
3-Butylpyridine
CID 10874

Frequently Asked Questions

What is the IUPAC name of 2-methylisoquinolin-2-ium iodide?
The IUPAC name of 2-methylisoquinolin-2-ium iodide (CID 19850) is 2-methylisoquinolin-2-ium iodide.
What is the SMILES notation for 2-methylisoquinolin-2-ium iodide?
The canonical SMILES for 2-methylisoquinolin-2-ium iodide is C[n+]1ccc2ccccc2c1.[I-].
What is the InChIKey of 2-methylisoquinolin-2-ium iodide?
The InChIKey is ITZIDCFSZHTXJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N.HI/c1-11-7-6-9-4-2-3-5-10(9)8-11;/h2-8H,1H3;1H/q+1;/p-1.
What are the key properties of 2-methylisoquinolin-2-ium iodide?
2-methylisoquinolin-2-ium iodide has a molecular weight of 271.10 g/mol, XLogP of -1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoquinolin-2-ium iodide is sourced from PubChem (CID 19850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).