2-Chloroisonicotinamide - CAS 100859-84-5

Catalog:	BB000370
Product Name:	2-Chloroisonicotinamide
CAS:	100859-84-5
Synonyms:	2-chloro-4-pyridinecarboxamide; 2-chloropyridine-4-carboxamide

Technical Data

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Computed Properties

IUPAC Name:	2-chloropyridine-4-carboxamide
Description:	2-Chloroisonicotinamide (CAS# 100859-84-5) is a useful research chemical.
Molecular Weight:	156.57
Molecular Formula:	C6H5ClN2O
Canonical SMILES:	C1=CN=C(C=C1C(=O)N)Cl
InChI:	InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
InChI Key:	DEMJOLRJLACBRX-UHFFFAOYSA-N
Boiling Point:	312.2 °C at 760 mmHg
Density:	1.381 g/cm³
MDL:	MFCD00221401
LogP:	1.53420

Publication Number	Title	Priority Date
WO-2019140387-A1	Crbn ligands and uses thereof	20180112
EP-3737675-A1	Crbn ligands and uses thereof	20180112
US-2020347045-A1	Crbn ligands and uses thereof	20180112
CN-110036009-A	The pyrrolidines being substituted and its purposes in treatment cystic fibrosis	20161007
US-2018037594-A1	Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors	20160805

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Related Functional Groups

Carbonyl Compounds

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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:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.0090405
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	56 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5