5-Fluoronicotinaldehyde - CAS 39891-04-8

Catalog:	BB024180
Product Name:	5-Fluoronicotinaldehyde
CAS:	39891-04-8
Synonyms:	5-fluoro-3-pyridinecarboxaldehyde; 5-fluoropyridine-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-fluoropyridine-3-carbaldehyde
Description:	5-Fluoronicotinaldehyde (CAS# 39891-04-8) is a useful research chemical. It is used in the preparation of peptidomimetics as inhibitors of cysteine proteases.
Molecular Weight:	125.10
Molecular Formula:	C6H4FNO
Canonical SMILES:	C1=C(C=NC=C1F)C=O
InChI:	InChI=1S/C6H4FNO/c7-6-1-5(4-9)2-8-3-6/h1-4H
InChI Key:	FEPXZFGQVDIXMZ-UHFFFAOYSA-N
Boiling Point:	249.4 °C at 760 mmHg
Density:	1.392 g/cm³
Appearance:	Liquid
LogP:	1.03320

Publication Number	Title	Priority Date
WO-2021212039-A1	Inhibitors of cysteine proteases and methods of use thereof	20200417
WO-2021167894-A1	Compositions and methods for treating malaria	20200218
US-2021094951-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20190906
WO-2021046515-A1	Inhibitors of receptor interacting protein kinase i for the treatment of disease	20190906
WO-2020224656-A1	Bisheterocyclic carbonyl substituted dihydropyrazole compound, preparation method therefor and pharmaceutical use thereof	20190509

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Related Functional Groups

Carbonyl Compounds

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[70912-52-6]
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[253429-30-0]
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[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H315 (99.2%): 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:	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:	0.4