2-Methylpyrimidine-5-boronic Acid - CAS 1034924-06-5

Catalog:	BB001154
Product Name:	2-Methylpyrimidine-5-boronic Acid
CAS:	1034924-06-5
Synonyms:	(2-methyl-5-pyrimidinyl)boronic acid; (2-methylpyrimidin-5-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-methylpyrimidin-5-yl)boronic acid
Description:	2-Methylpyrimidine-5-boronic Acid (CAS# 1034924-06-5) is a useful research chemical.
Molecular Weight:	137.93
Molecular Formula:	C5H7N2O2B
Canonical SMILES:	B(C1=CN=C(N=C1)C)(O)O
InChI:	InChI=1S/C5H7BN2O2/c1-4-7-2-5(3-8-4)6(9)10/h2-3,9-10H,1H3
InChI Key:	BTJLWJOEZRVRNL-UHFFFAOYSA-N
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD07375144
LogP:	-1.53520

Publication Number	Title	Priority Date
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
WO-2021173917-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20200228
WO-2021072198-A1	Oral complement factor d inhibitors	20191009
CN-112574191-A	Isoxazole heterocyclic compound and application thereof	20190929
CN-112300126-A	Heterocyclic DNA-PK inhibitors	20190731

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.0600576
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	138.0600576
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0