methylidene(pyridin-4-ylmethyl)-λ3-iodane

C7H8IN — CID 146977564

IUPACmethylidene(pyridin-4-ylmethyl)-λ3-iodane
SMILESC=ICc1ccncc1
InChIInChI=1S/C7H8IN/c1-8-6-7-2-4-9-5-3-7/h2-5H,1,6H2
InChIKeyANQWYFJESPOJQY-UHFFFAOYSA-N
MW233.05 g/mol
LogP1.98
Rot. Bonds2

About methylidene(pyridin-4-ylmethyl)-λ3-iodane

methylidene(pyridin-4-ylmethyl)-λ3-iodane (PubChem CID 146977564) has the molecular formula C7H8IN and a molecular weight of 233.05 g/mol. Its IUPAC name is methylidene(pyridin-4-ylmethyl)-λ3-iodane.

Molecular Properties

Compound Namemethylidene(pyridin-4-ylmethyl)-λ3-iodane
PubChem CID146977564
Molecular FormulaC7H8IN
Molecular Weight233.05 g/mol
Exact Mass232.97
IUPAC Namemethylidene(pyridin-4-ylmethyl)-λ3-iodane
SMILESC=ICc1ccncc1
InChIInChI=1S/C7H8IN/c1-8-6-7-2-4-9-5-3-7/h2-5H,1,6H2
InChIKeyANQWYFJESPOJQY-UHFFFAOYSA-N
XLogP1.98
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.05
LogP ≤ 51.98
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

ethane;4-ethylpyridine
CID 142005045
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
ethane;4-ethylpyridine;methanol
CID 143096814
ethanol;4-ethylpyridine
CID 174816615
pyridin-4-ylmethylazanium
CID 3822501
4-(2-chloro-3-cyclopropylbutyl)pyridine
CID 83152471
bis(pyridin-4-ylmethanol);tetrachloroplatinum
CID 50909507
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
CID 167540277
CID 167540277
4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187

Frequently Asked Questions

What is the IUPAC name of methylidene(pyridin-4-ylmethyl)-λ3-iodane?
The IUPAC name of methylidene(pyridin-4-ylmethyl)-λ3-iodane (CID 146977564) is methylidene(pyridin-4-ylmethyl)-λ3-iodane.
What is the SMILES notation for methylidene(pyridin-4-ylmethyl)-λ3-iodane?
The canonical SMILES for methylidene(pyridin-4-ylmethyl)-λ3-iodane is C=ICc1ccncc1.
What is the InChIKey of methylidene(pyridin-4-ylmethyl)-λ3-iodane?
The InChIKey is ANQWYFJESPOJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN/c1-8-6-7-2-4-9-5-3-7/h2-5H,1,6H2.
What are the key properties of methylidene(pyridin-4-ylmethyl)-λ3-iodane?
methylidene(pyridin-4-ylmethyl)-λ3-iodane has a molecular weight of 233.05 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene(pyridin-4-ylmethyl)-λ3-iodane is sourced from PubChem (CID 146977564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).