2-Iodopyrimidine - CAS 31462-54-1

Catalog:	BB020926
Product Name:	2-Iodopyrimidine
CAS:	31462-54-1
Synonyms:	2-iodopyrimidine; 2-iodopyrimidine

Technical Data

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Computed Properties

IUPAC Name:	2-iodopyrimidine
Description:	2-Iodopyrimidine (CAS# 31462-54-1) is a useful research chemical.
Molecular Weight:	205.98
Molecular Formula:	C4H3IN2
Canonical SMILES:	C1=CN=C(N=C1)I
InChI:	InChI=1S/C4H3IN2/c5-4-6-2-1-3-7-4/h1-3H
InChI Key:	AXDGIPMYJALRKV-UHFFFAOYSA-N
Boiling Point:	277.4 °C at 760 mmHg
Density:	2.102 g/cm³
LogP:	1.08120

Publication Number	Title	Priority Date
CN-111484458-A	Simple preparation method of 2-hydroxy-5-sulfo pyrimidine	20200525
WO-2021147879-A1	Shp2 inhibitor and application thereof	20200121
CN-111039910-A	Photoinitiated method for synthesizing 3-aryl flavone or coumarin compound and application thereof	20191231
EP-3771714-A1	Nitrogen-containing heterocycles as pesticides	20190730
CN-110194720-A	A kind of compound, organic photoelectric device and electronic equipment	20190628

PMID	Publication Date	Title	Journal
22347365	20120101	Toward new therapeutics for skin and soft tissue infections: propargyl-linked antifolates are potent inhibitors of MRSA and Streptococcus pyogenes	PloS one
12201781	20020906	Improved synthesis of 2,2'-bipyrimidine	The Journal of organic chemistry
11832480	20020419	Asymmetric photocross-linking pattern of restriction endonuclease EcoRII to the DNA recognition sequence	The Journal of biological chemistry

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:	0.2