3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide

C9H14IN — CID 88799452

IUPAC3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide
SMILESC=CC1=CC=C(C)N(C)C1.I
InChIInChI=1S/C9H13N.HI/c1-4-9-6-5-8(2)10(3)7-9;/h4-6H,1,7H2,2-3H3;1H
InChIKeyUCZSPEGBFBPBFA-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.57
Rot. Bonds1

About 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide

3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide (PubChem CID 88799452) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide.

Molecular Properties

Compound Name3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide
PubChem CID88799452
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC Name3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide
SMILESC=CC1=CC=C(C)N(C)C1.I
InChIInChI=1S/C9H13N.HI/c1-4-9-6-5-8(2)10(3)7-9;/h4-6H,1,7H2,2-3H3;1H
InChIKeyUCZSPEGBFBPBFA-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-methylpyridine
CID 20650803
4-vinyl-N-ethylpyridine
CID 22178796
n-Methyl-4-vinylpyridine
CID 22463631
6-ethenyl-1-methyl-2H-pyridine
CID 22719088
1-Methyl-6-methylidene-2,3-dihydropyridine
CID 58329250
4-ethenyl-3-(1-fluoroethenyl)-1-methyl-5-methylidene-2H-pyrrole
CID 145157835
fluoro-methyl-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-2-enylazanium
CID 145677902
1,2,4,6-tetramethyl-2H-pyridine
CID 423780
3-ethenyl-1-methyl-2H-pyridine
CID 17846906
1-ethyl-6-methyl-2H-pyridine
CID 17995825
1-ethyl-4-methyl-2H-pyridine
CID 18709989
1,1-Dimethylcyclopenta[b]pyridin-1-ium iodide
CID 18916601

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide?
The IUPAC name of 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide (CID 88799452) is 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide.
What is the SMILES notation for 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide?
The canonical SMILES for 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide is C=CC1=CC=C(C)N(C)C1.I.
What is the InChIKey of 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide?
The InChIKey is UCZSPEGBFBPBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.HI/c1-4-9-6-5-8(2)10(3)7-9;/h4-6H,1,7H2,2-3H3;1H.
What are the key properties of 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide?
3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide has a molecular weight of 263.12 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1,6-dimethyl-2H-pyridine;hydroiodide is sourced from PubChem (CID 88799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).