1-benzyl-2-methylpyridin-1-ium;hydroiodide

C13H15IN+ — CID 126958075

IUPAC1-benzyl-2-methylpyridin-1-ium;hydroiodide
SMILESCc1cccc[n+]1Cc1ccccc1.I
InChIInChI=1S/C13H14N.HI/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;
InChIKeyPXCICXQOJJMCON-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.95
Rot. Bonds2

About 1-benzyl-2-methylpyridin-1-ium;hydroiodide

1-benzyl-2-methylpyridin-1-ium;hydroiodide (PubChem CID 126958075) has the molecular formula C13H15IN+ and a molecular weight of 312.17 g/mol. Its IUPAC name is 1-benzyl-2-methylpyridin-1-ium;hydroiodide.

Molecular Properties

Compound Name1-benzyl-2-methylpyridin-1-ium;hydroiodide
PubChem CID126958075
Molecular FormulaC13H15IN+
Molecular Weight312.17 g/mol
Exact Mass312.02
IUPAC Name1-benzyl-2-methylpyridin-1-ium;hydroiodide
SMILESCc1cccc[n+]1Cc1ccccc1.I
InChIInChI=1S/C13H14N.HI/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;
InChIKeyPXCICXQOJJMCON-UHFFFAOYSA-N
XLogP2.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.95
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

1-benzyl-2-methylpyridin-1-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139731969
1-benzyl-2,6-dimethylpyridin-1-ium
CID 67849381
2-methyl-1-[3-(2-methylpyridin-1-ium-1-yl)propyl]pyridin-1-ium dibromide
CID 12598864
2-methyl-1-propylpyridin-1-ium
CID 3808515
2-methyl-1-[8-(2-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 11455659
2-methyl-1-[5-[3-[5-(2-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium dibromide
CID 24743189
1-benzylpyridin-1-ium;ethane
CID 90840399
1-benzyl-5-methoxy-2-methylpyridin-1-ium
CID 100989796
2-(2-methylpyridin-1-ium-1-yl)-N-(3-phenylpropyl)acetamide
CID 8826993
iodanium 3-benzyl-2-methyl-1H-imidazol-3-ium
CID 172721965
1-butyl-2-methylpyridin-1-ium
CID 13240378
1-benzylpyridin-1-ium-2-sulfonate
CID 18965746

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methylpyridin-1-ium;hydroiodide?
The IUPAC name of 1-benzyl-2-methylpyridin-1-ium;hydroiodide (CID 126958075) is 1-benzyl-2-methylpyridin-1-ium;hydroiodide.
What is the SMILES notation for 1-benzyl-2-methylpyridin-1-ium;hydroiodide?
The canonical SMILES for 1-benzyl-2-methylpyridin-1-ium;hydroiodide is Cc1cccc[n+]1Cc1ccccc1.I.
What is the InChIKey of 1-benzyl-2-methylpyridin-1-ium;hydroiodide?
The InChIKey is PXCICXQOJJMCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N.HI/c1-12-7-5-6-10-14(12)11-13-8-3-2-4-9-13;/h2-10H,11H2,1H3;1H/q+1;.
What are the key properties of 1-benzyl-2-methylpyridin-1-ium;hydroiodide?
1-benzyl-2-methylpyridin-1-ium;hydroiodide has a molecular weight of 312.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methylpyridin-1-ium;hydroiodide is sourced from PubChem (CID 126958075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).