(1-methylpyridin-1-ium-4-yl)methanamine iodide

C7H11IN2 — CID 91902593

IUPAC(1-methylpyridin-1-ium-4-yl)methanamine iodide
SMILESC[n+]1ccc(CN)cc1.[I-]
InChIInChI=1S/C7H11N2.HI/c1-9-4-2-7(6-8)3-5-9;/h2-5H,6,8H2,1H3;1H/q+1;/p-1
InChIKeyYNRJNLQKPFVNEF-UHFFFAOYSA-M
MW250.08 g/mol
LogP-3.03
Rot. Bonds1

About (1-methylpyridin-1-ium-4-yl)methanamine iodide

(1-methylpyridin-1-ium-4-yl)methanamine iodide (PubChem CID 91902593) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is (1-methylpyridin-1-ium-4-yl)methanamine iodide.

Molecular Properties

Compound Name(1-methylpyridin-1-ium-4-yl)methanamine iodide
PubChem CID91902593
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name(1-methylpyridin-1-ium-4-yl)methanamine iodide
SMILESC[n+]1ccc(CN)cc1.[I-]
InChIInChI=1S/C7H11N2.HI/c1-9-4-2-7(6-8)3-5-9;/h2-5H,6,8H2,1H3;1H/q+1;/p-1
InChIKeyYNRJNLQKPFVNEF-UHFFFAOYSA-M
XLogP-3.03
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 5-3.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyridin-1-ium-4-yl)methanamine iodide?
The IUPAC name of (1-methylpyridin-1-ium-4-yl)methanamine iodide (CID 91902593) is (1-methylpyridin-1-ium-4-yl)methanamine iodide.
What is the SMILES notation for (1-methylpyridin-1-ium-4-yl)methanamine iodide?
The canonical SMILES for (1-methylpyridin-1-ium-4-yl)methanamine iodide is C[n+]1ccc(CN)cc1.[I-].
What is the InChIKey of (1-methylpyridin-1-ium-4-yl)methanamine iodide?
The InChIKey is YNRJNLQKPFVNEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11N2.HI/c1-9-4-2-7(6-8)3-5-9;/h2-5H,6,8H2,1H3;1H/q+1;/p-1.
What are the key properties of (1-methylpyridin-1-ium-4-yl)methanamine iodide?
(1-methylpyridin-1-ium-4-yl)methanamine iodide has a molecular weight of 250.08 g/mol, XLogP of -3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyridin-1-ium-4-yl)methanamine iodide is sourced from PubChem (CID 91902593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).