6-Fluoropyridine-2-carboxaldehyde - CAS 208110-81-0

Catalog:	BB016315
Product Name:	6-Fluoropyridine-2-carboxaldehyde
CAS:	208110-81-0
Synonyms:	6-fluoro-2-pyridinecarboxaldehyde; 6-fluoropyridine-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	6-fluoropyridine-2-carbaldehyde
Description:	6-Fluoropyridine-2-carboxaldehyde (CAS# 208110-81-0) is used in the synthesis of fluoroheterocyclic aldoximes which are therapeutic agents for the treatment of anti-cholinesterase poisoning.
Molecular Weight:	125.10
Molecular Formula:	C6H4FNO
Canonical SMILES:	C1=CC(=NC(=C1)F)C=O
InChI:	InChI=1S/C6H4FNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
InChI Key:	HENWRHPVXMPQNF-UHFFFAOYSA-N
Boiling Point:	285.5 °C at 760 mmHg
Density:	1.997 g/cm³
Appearance:	Light yellow clear liquid
LogP:	1.03320

Publication Number	Title	Priority Date
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WO-2021119265-A1	Antagonists of the muscarinic acetylcholine receptor m4	20191210
US-2021094944-A1	Heterocyclic compound	20190927
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US-2020377474-A1	Therapeutic compounds and methods of use thereof	20190603

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[5650-34-0]
Oxiran-2-yl(phenyl)methanone
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Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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GHS Hazard Statement:	H227 (33.33%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.027691913
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	125.027691913
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1