3-Pyridylacetic acid hydrochloride - CAS 6419-36-9

Catalog:	BB032398
Product Name:	3-Pyridylacetic acid hydrochloride
CAS:	6419-36-9
Synonyms:	2-pyridin-3-ylacetic acid;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	2-pyridin-3-ylacetic acid;hydrochloride
Description:	A metabolite of Nicotine,which is a potent parasympathomimetic stimulant.
Molecular Weight:	173.60
Molecular Formula:	C7H7NO2 · HCl
Canonical SMILES:	C1=CC(=CN=C1)CC(=O)O.Cl
InChI:	InChI=1S/C7H7NO2.ClH/c9-7(10)4-6-2-1-3-8-5-6;/h1-3,5H,4H2,(H,9,10);1H
InChI Key:	XVCCOEWNFXXUEV-UHFFFAOYSA-N
Boiling Point:	301.6 ℃ at 760 mmHg
Melting Point:	157-159 ℃
Purity:	97 %
Appearance:	White to off-white solid
MDL:	MFCD00012819
LogP:	1.51070

Publication Number	Title	Priority Date
CN-112250688-A	7-azabenzofuran derivatives and application thereof in antitumor drugs	20201015
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
WO-2021026179-A1	AGONISTS OF ROR GAMMAt	20190806
CN-110229112-A	Antineoplastic immune adjusts conjugates and the preparation method and application thereof	20190703
CN-110229112-B	Anti-tumor immunoregulation conjugate and preparation method and application thereof	20190703

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Pyridines

[942206-23-7]
2,5-Dichloro-3-iodopyridine
[4926-28-7]
2-Bromo-4-methylpyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[7356-60-7]
3-Amidinopyridine Hydrochloride
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

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:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.0243562
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	173.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0