2-fluoropyridine-4-boronic acid - CAS 401815-98-3

Catalog:	BB024355
Product Name:	2-fluoropyridine-4-boronic acid
CAS:	401815-98-3
Synonyms:	(2-fluoro-4-pyridinyl)boronic acid; (2-fluoropyridin-4-yl)boronic acid

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Computed Properties

IUPAC Name:	(2-fluoropyridin-4-yl)boronic acid
Description:	2-fluoropyridine-4-boronic acid (CAS# 401815-98-3) is used to synthesize analogues of the antitubercular drug.
Molecular Weight:	140.91
Molecular Formula:	C5H5BFNO2
Canonical SMILES:	B(C1=CC(=NC=C1)F)(O)O
InChI:	InChI=1S/C5H5BFNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H
InChI Key:	WXGBZJJAGLSBPR-UHFFFAOYSA-N
Boiling Point:	326.8 °C at 760 mmHg
Flash Point:	Not applicable
Purity:	97 %
Density:	1.34 g/cm³
MDL:	MFCD04112534
LogP:	-1.09950

Publication Number	Title	Priority Date
CN-113461666-A	Biphenyl diaryl methyl pyrimidine derivative containing aromatic heterocyclic structure and preparation method thereof	20210506
CN-113214247-A	Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy	20210114
CN-112687878-A	Electrochemical device and electronic device	20201225
US-2021315896-A1	Indazole based compounds and associated methods of use	20200321
WO-2021181122-A1	Gpr52 modulator compounds	20200313

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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:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	141.0397367
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	141.0397367
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0