3-(2-Pyridyl)benzoic Acid - CAS 4467-07-6

Name: 3-(2-Pyridyl)benzoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025691
Product Name:	3-(2-Pyridyl)benzoic Acid
CAS:	4467-07-6
Synonyms:	3-(2-pyridinyl)benzoic acid; 3-pyridin-2-ylbenzoic acid

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Computed Properties

IUPAC Name:	3-pyridin-2-ylbenzoic acid
Description:	3-(2-Pyridyl)benzoic Acid (CAS# 4467-07-6) is a useful research chemical compound.
Molecular Weight:	199.21
Molecular Formula:	C12H9NO2
Canonical SMILES:	C1=CC=NC(=C1)C2=CC(=CC=C2)C(=O)O
InChI:	InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
InChI Key:	IRXFQXMHMRTLIR-UHFFFAOYSA-N
Boiling Point:	409 °C at 760 mmHg
Density:	1.241 g/cm³
MDL:	MFCD05864807
LogP:	2.44680

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021086879-A1	Compounds and methods of use	20191028
WO-2021066559-A1	N-(1h-imidazol-2-yl)benzamide compound and pharmaceutical composition comprising the same as active ingredient	20191002
WO-2021051231-A1	Photo-responsive coordination compounds with photo-controllable electron-transporting and electrical conducting properties, and fabrication of organic electronics and organic resistive memory devices with photo-switchable performance	20190916
US-2020067006-A1	Quantum dots with charge-transporting ligands	20180821
WO-2020040982-A1	Quantum dots with charge-transporting ligands	20180821

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.06332853
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2