2-Phenylnicotinic Acid - CAS 33421-39-5

Catalog:	BB021706
Product Name:	2-Phenylnicotinic Acid
CAS:	33421-39-5
Synonyms:	2-phenyl-3-pyridinecarboxylic acid; 2-phenylpyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	2-phenylpyridine-3-carboxylic acid
Description:	2-Phenylnicotinic Acid (CAS# 33421-39-5) is a useful research chemical.
Molecular Weight:	199.21
Molecular Formula:	C12H9NO2
Canonical SMILES:	C1=CC=C(C=C1)C2=C(C=CC=N2)C(=O)O
InChI:	InChI=1S/C12H9NO2/c14-12(15)10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H,(H,14,15)
InChI Key:	VLQVAEFYIADOKI-UHFFFAOYSA-N
Boiling Point:	357.3 °C at 760 mmHg
Density:	1.241 g/cm³
MDL:	MFCD03069417
LogP:	2.44680

Publication Number	Title	Priority Date
WO-2021188907-A1	Pyridinesulfonamide derivatives as trap1 modulators and uses thereof	20200320
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
JP-2020109086-A	Pharmaceutical composition	20181228
JP-2021102653-A	Pharmaceutical composition	20181228
JP-6868089-B2	Medicine	20181228

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

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