3,5-Difluoropyridine-2-carboxylic acid - CAS 745784-04-7

Catalog:	BB035113
Product Name:	3,5-Difluoropyridine-2-carboxylic acid
CAS:	745784-04-7
Synonyms:	3,5-difluoropyridine-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3,5-difluoropyridine-2-carboxylic acid
Description:	3,5-Difluoropyridine-2-carboxylic acid (CAS# 745784-04-7) is a useful research chemical.
Molecular Weight:	159.09
Molecular Formula:	C6H3F2NO2
Canonical SMILES:	C1=C(C=NC(=C1F)C(=O)O)F
InChI:	InChI=1S/C6H3F2NO2/c7-3-1-4(8)5(6(10)11)9-2-3/h1-2H,(H,10,11)
InChI Key:	QKLXAJQKMIWFRC-UHFFFAOYSA-N
Boiling Point:	240.6 °C at 760 mmHg
Melting Point:	202-204 °C
Purity:	95 %
Density:	1.535 g/cm³
MDL:	MFCD05664124
LogP:	1.05800

Publication Number	Title	Priority Date
WO-2021032687-A1	Antimalarial hexahydropyrimidine analogues	20190819
WO-2021022186-A1	Deuterated mk2 pathway inhibitors and methods of using the same	20190731
US-2021017170-A1	Processes for preparing toll-like receptor modulator compounds	20190628
WO-2020264081-A1	Processes for preparing toll-like receptor modulator compounds	20190628
WO-2020264499-A1	Irak degraders and uses thereof	20190628

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid
[151585-93-2]
2-Amino-6-fluorobenzaldehyde

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]
3'-Fluoroacetanilide
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

Pyridines

[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[267242-99-9]
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride
[144584-32-7]
3-Bromo-2,4-dichloropyridine

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:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.01318466
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.01318466
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9