1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide

C13H12IN — CID 3054372

IUPAC1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide
SMILESC[n+]1cccc2c1Cc1ccccc1-2.[I-]
InChIInChI=1S/C13H12N.HI/c1-14-8-4-7-12-11-6-3-2-5-10(11)9-13(12)14;/h2-8H,9H2,1H3;1H/q+1;/p-1
InChIKeyGIDQNYIGYNLVBX-UHFFFAOYSA-M
MW309.15 g/mol
LogP-0.91
Rot. Bonds

About 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide

1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide (PubChem CID 3054372) has the molecular formula C13H12IN and a molecular weight of 309.15 g/mol. Its IUPAC name is 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide.

Molecular Properties

Compound Name1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide
PubChem CID3054372
Molecular FormulaC13H12IN
Molecular Weight309.15 g/mol
Exact Mass309.00
IUPAC Name1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide
SMILESC[n+]1cccc2c1Cc1ccccc1-2.[I-]
InChIInChI=1S/C13H12N.HI/c1-14-8-4-7-12-11-6-3-2-5-10(11)9-13(12)14;/h2-8H,9H2,1H3;1H/q+1;/p-1
InChIKeyGIDQNYIGYNLVBX-UHFFFAOYSA-M
XLogP-0.91
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 5-0.91
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

(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
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2-(3-Phenylpropyl)Pyridine
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3-Methylisoquinoline
CID 14306
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
1-Methyl-4-phenylpyridinium
CID 39484
2-(2-Phenylethyl)pyridine
CID 75028
1-Phenethyl-2-picolinium bromide
CID 82720
Indeno(1,2,3-ij)(2,7)naphthyridine
CID 72486
Dimetindene, (R)-
CID 12963076

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide?
The IUPAC name of 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide (CID 3054372) is 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide.
What is the SMILES notation for 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide?
The canonical SMILES for 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide is C[n+]1cccc2c1Cc1ccccc1-2.[I-].
What is the InChIKey of 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide?
The InChIKey is GIDQNYIGYNLVBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H12N.HI/c1-14-8-4-7-12-11-6-3-2-5-10(11)9-13(12)14;/h2-8H,9H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide?
1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide has a molecular weight of 309.15 g/mol, XLogP of -0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9H-indeno[2,1-b]pyridin-1-ium iodide is sourced from PubChem (CID 3054372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).