3,5-Difluoroisonicotinic Acid - CAS 903522-29-2

Catalog:	BB039821
Product Name:	3,5-Difluoroisonicotinic Acid
CAS:	903522-29-2
Synonyms:	3,5-difluoro-4-pyridinecarboxylic acid; 3,5-difluoropyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3,5-difluoropyridine-4-carboxylic acid
Description:	A di-substituted isonicotinic acid (I821760) used in the preparation of pyridyl-fused lactam derivatives.
Molecular Weight:	159.09
Molecular Formula:	C6H3F2NO2
Canonical SMILES:	C1=C(C(=C(C=N1)F)C(=O)O)F
InChI:	InChI=1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChI Key:	DRWDDFVJHGAJTN-UHFFFAOYSA-N
Boiling Point:	316.9 °C at 760 mmHg
Density:	1.535 g/cm³
Appearance:	Solid
MDL:	MFCD04972829
LogP:	1.05800

Publication Number	Title	Priority Date
CA-3085255-A1	Eif4e-inhibiting compounds and methods	20190702
WO-2021003157-A1	Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds	20190702
US-2019315717-A1	Benzimidazole and indole compounds and uses thereof	20180413
CN-111065383-A	Carboxamides useful as sodium channel modulators	20170711
EP-3651752-A1	Carboxamides as modulators of sodium channels	20170711

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
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[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501
Signal Word:	Danger

Complexity:	155
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:	0.6