2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine

C11H14IN — CID 88585985

IUPAC2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine
SMILESCI1CC=C(c2ccccn2)CC1
InChIInChI=1S/C11H14IN/c1-12-7-5-10(6-8-12)11-4-2-3-9-13-11/h2-5,9H,6-8H2,1H3
InChIKeyKHFYGZDASKKXHR-UHFFFAOYSA-N
MW287.14 g/mol
LogP3.00
Rot. Bonds1

About 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine

2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine (PubChem CID 88585985) has the molecular formula C11H14IN and a molecular weight of 287.14 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine
PubChem CID88585985
Molecular FormulaC11H14IN
Molecular Weight287.14 g/mol
Exact Mass287.02
IUPAC Name2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine
SMILESCI1CC=C(c2ccccn2)CC1
InChIInChI=1S/C11H14IN/c1-12-7-5-10(6-8-12)11-4-2-3-9-13-11/h2-5,9H,6-8H2,1H3
InChIKeyKHFYGZDASKKXHR-UHFFFAOYSA-N
XLogP3.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexa-1,3-dien-1-ylpyridine;ethane
CID 177335848
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
carbanide;methanolate;platinum(4+);2-pyridin-2-ylpyridine;hydroxide
CID 25150763
5,8,13,16-tetrapyridin-2-yl-6,7,14,15-tetrazatricyclo[10.4.0.04,9]hexadeca-1(12),4(9),5,7,13,15-hexaene
CID 101424910
2-(2,3-dihydro-1H-pyrrol-4-yl)pyridine
CID 88971870

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine (CID 88585985) is 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine is CI1CC=C(c2ccccn2)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine?
The InChIKey is KHFYGZDASKKXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN/c1-12-7-5-10(6-8-12)11-4-2-3-9-13-11/h2-5,9H,6-8H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine?
2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine has a molecular weight of 287.14 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-1λ3-iodinin-4-yl)pyridine is sourced from PubChem (CID 88585985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).