2,3-Difluoropyridine-4-carboxylic acid - CAS 851386-31-7

Name: 2,3-Difluoropyridine-4-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037500
Product Name:	2,3-Difluoropyridine-4-carboxylic acid
CAS:	851386-31-7
Synonyms:	2,3-difluoropyridine-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,3-difluoropyridine-4-carboxylic acid
Description:	2,3-Difluoropyridine-4-carboxylic acid (CAS# 851386-31-7) is a useful research chemical.
Molecular Weight:	159.09
Molecular Formula:	C6H3F2NO2
Canonical SMILES:	C1=CN=C(C(=C1C(=O)O)F)F
InChI:	InChI=1S/C6H3F2NO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)
InChI Key:	FFGHMEKFPCGYEG-UHFFFAOYSA-N
Boiling Point:	377.4 °C at 760 mmHg
Density:	1.535 g/cm³
MDL:	MFCD09031174
LogP:	1.05800

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Related Functional Groups

Fluorinated Building Blocks

[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1328640-88-5]C7H9F2N3O3
5-((2,2-Difluoroethoxy)methyl)-1-methyl-3-nitro-1H-pyrazole

Other Pyrimidines

[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[937601-34-8]C9H8BrN3O2
3-Bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
[150517-77-4]C8H7F4N
3-Fluoro-5-(trifluoromethyl)benzylamine
[351-28-0]C8H8FNO
3'-Fluoroacetanilide
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate

Pyridines

[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[7356-60-7]C6H8ClN3
3-Amidinopyridine Hydrochloride
[144584-32-7]C5H2BrCl2N
3-Bromo-2,4-dichloropyridine

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-111196806-A	Guanidine derivatives and use thereof	20181120
CN-109923116-A	[1,2,4] triazol [1,5-A] pyrimidine derivatives as PDE2 inhibitor	20161102
EP-3475275-A1	3-aryl and heteroaryl substituted 5-trifluoromethyl oxadiazoles as histone deacetylase 6 (hdac6) inhibitors	20160623
US-2019185462-A1	3-aryl- heteroaryl substituted 5-trifluoromethyl oxadiazoles as histonedeacetylase 6 (hdac6) inhibitors	20160623
WO-2017222951-A1	3-aryl and heteroaryl substituted 5-trifluoromethyl oxadiazoles as histone deacetylase 6 (hdac6) inhibitors	20160623

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