5-Acetyl-2-fluoropyridine - CAS 84331-14-6

Catalog:	BB037172
Product Name:	5-Acetyl-2-fluoropyridine
CAS:	84331-14-6
Synonyms:	1-(6-fluoro-3-pyridinyl)ethanone; 1-(6-fluoropyridin-3-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(6-fluoropyridin-3-yl)ethanone
Description:	5-Acetyl-2-fluoropyridine (CAS# 84331-14-6) is a useful research chemical.
Molecular Weight:	139.13
Molecular Formula:	C7H6FNO
Canonical SMILES:	CC(=O)C1=CN=C(C=C1)F
InChI:	InChI=1S/C7H6FNO/c1-5(10)6-2-3-7(8)9-4-6/h2-4H,1H3
InChI Key:	BQQPPKSWFCUWCN-UHFFFAOYSA-N
Boiling Point:	246.672 °C at 760 mmHg
Density:	1.175 g/cm³
MDL:	MFCD07375076
LogP:	1.42330

Publication Number	Title	Priority Date
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2021067606-A1	Brm targeting compounds and associated methods of use	20191001
WO-2020233641-A1	Compound used as ret kinase inhibitor and application thereof	20190520
EP-3628672-A1	Indane derivatives for use in the treatment of bacterial infection	20180925
WO-2020064175-A1	Indane derivatives for use in the treatment of bacterial infection	20180925

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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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.043341977
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	139.043341977
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1