2-Methoxypyrimidine-5-boronic Acid - CAS 628692-15-9

Catalog:	BB031854
Product Name:	2-Methoxypyrimidine-5-boronic Acid
CAS:	628692-15-9
Synonyms:	(2-methoxy-5-pyrimidinyl)boronic acid; (2-methoxypyrimidin-5-yl)boronic acid

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Computed Properties

IUPAC Name:	(2-methoxypyrimidin-5-yl)boronic acid
Description:	2-Methoxypyrimidine-5-boronic Acid (CAS# 628692-15-9) is a useful research chemical.
Molecular Weight:	153.93
Molecular Formula:	C5H7N2O3B
Canonical SMILES:	B(C1=CN=C(N=C1)OC)(O)O
InChI:	InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChI Key:	YPWAJLGHACDYQS-UHFFFAOYSA-N
Boiling Point:	378.3 °C at 760 mmHg
Density:	1.33 g/cm³
MDL:	MFCD03094664
LogP:	-1.83500

Publication Number	Title	Priority Date
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021130732-A1	Antibacterial quinolines	20191227
WO-2021127071-A1	Bicyclic heterocycle compounds methods of use thereof for the treatment of herpes viruses	20191218
WO-2021074281-A1	Substituted azacyles as trmp8 modulators	20191017
WO-2021076945-A1	Tropolone derivatives and tautomers thereof for iron regulation in animals	20191016

PMID	Publication Date	Title	Journal
15007413	20040321	5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions	Organic & biomolecular chemistry

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GHS Hazard Statement:	H302 (88.89%): 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:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0549723
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	154.0549723
Rotatable Bond Count:	2
Topological Polar Surface Area:	75.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0