2-Phenylisonicotinic Acid - CAS 55240-51-2

Name: 2-Phenylisonicotinic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028964
Product Name:	2-Phenylisonicotinic Acid
CAS:	55240-51-2
Synonyms:	2-phenyl-4-pyridinecarboxylic acid; 2-phenylpyridine-4-carboxylic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	2-phenylpyridine-4-carboxylic acid
Description:	2-Phenylisonicotinic Acid (CAS# 55240-51-2) is a useful research chemical.
Molecular Weight:	199.21
Molecular Formula:	C12H9NO2
Canonical SMILES:	C1=CC=C(C=C1)C2=NC=CC(=C2)C(=O)O
InChI:	InChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key:	OMMKWOVBOKXXQU-UHFFFAOYSA-N
Boiling Point:	478.8 °C at 760 mmHg
Density:	1.241 g/cm³
MDL:	MFCD03086008
LogP:	2.44680

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
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]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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

Publication Number	Title	Priority Date
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
CN-109053815-A	A kind of iridium (III) complex and its preparation method and application	20180921
WO-2019162323-A1	New benzimidazole compounds and derivatives as egfr inhibitors	20180221
US-2020377476-A1	New benzimidazole compounds and derivatives as egfr inhibitors	20180221
AU-2018359018-A1	Peptide antibiotics	20171102

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.063328530
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4