5-Iodopyrimidine - CAS 31462-58-5

Catalog:	BB020928
Product Name:	5-Iodopyrimidine
CAS:	31462-58-5
Synonyms:	5-iodopyrimidine; 5-iodopyrimidine

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Computed Properties

IUPAC Name:	5-iodopyrimidine
Description:	5-Iodopyrimidine (CAS# 31462-58-5) is a useful research chemical.
Molecular Weight:	205.98
Molecular Formula:	C4H3IN2
Canonical SMILES:	C1=C(C=NC=N1)I
InChI:	InChI=1S/C4H3IN2/c5-4-1-6-3-7-2-4/h1-3H
InChI Key:	DNWRLMRKDSGSPL-UHFFFAOYSA-N
Boiling Point:	231.6 °C at 760 mmHg
Density:	2.102 g/cm³
MDL:	MFCD00233961
LogP:	1.08120

Publication Number	Title	Priority Date
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
CN-113121406-A	Organic electroluminescent main body material and application thereof in organic electroluminescent device	20191231
WO-2021096496-A1	Methods for forming aryl carbon-nitrogen bonds using light and photoreactors useful for conducting such reactions	20191112
WO-2021070957-A1	Benzene condensed ring compound and medical composition containing same	20191009
EP-3771714-A1	Nitrogen-containing heterocycles as pesticides	20190730

PMID	Publication Date	Title	Journal
20165813	20100307	Synthesis of nucleoside and nucleotide conjugates of bile acids, and polymerase construction of bile acid-functionalized DNA	Organic & biomolecular chemistry
20376222	20091101	Synthesis and antimicrobial evaluation of 5-iodopyrimidine analogs	Indian journal of pharmaceutical sciences

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	51.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.93410
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.93410
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3