Nicotinanilide - CAS 1752-96-1

Name: Nicotinanilide
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013122
Product Name:	Nicotinanilide
CAS:	1752-96-1
Synonyms:	N-phenylpyridine-3-carboxamide

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Computed Properties

IUPAC Name:	N-phenylpyridine-3-carboxamide
Description:	Nicotinanilide (CAS# 1752-96-1) is a compound useful in organic synthesis.
Molecular Weight:	198.22
Molecular Formula:	C12H10N2O
Canonical SMILES:	C1=CC=C(C=C1)NC(=O)C2=CN=CC=C2
InChI:	InChI=1S/C12H10N2O/c15-12(10-5-4-8-13-9-10)14-11-6-2-1-3-7-11/h1-9H,(H,14,15)
InChI Key:	NYQXIOZBHWFCBU-UHFFFAOYSA-N
Boiling Point:	265.8 °C at 760 mmHg
Density:	1.227 g/cm³
MDL:	MFCD00023572
LogP:	2.40690

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Related Functional Groups

Pyridines

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[149463-07-0]C6H6Cl2FN
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[856848-33-4]C5H4Br2N2
2-Amino-4,5-dibromopyridine

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

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PMID	Publication Date	Title	Journal
21943760	20111001	Effects of encapsulated niacin on metabolism and production of periparturient dairy cows	Journal of dairy science
21144750	20110101	Design of novel N-phenylnicotinamides as selective cyclooxygenase-1 inhibitors	Bioorganic & medicinal chemistry letters
21034485	20101029	Inhibitors of inflammation and endogenous surfactant pool size as modulators of lung injury with initiation of ventilation in preterm sheep	Respiratory research
21582226	20090221	N-Phenyl-nicotinamide	Acta crystallographica. Section E, Structure reports online
18182301	20090101	Identification of aquaporin 4 inhibitors using in vitro and in silico methods	Bioorganic & medicinal chemistry

Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.079312947
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.079312947
Rotatable Bond Count:	2
Topological Polar Surface Area:	42 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7