5-Formylnicotinonitrile - CAS 70416-53-4

Catalog:	BB034152
Product Name:	5-Formylnicotinonitrile
CAS:	70416-53-4
Synonyms:	5-formyl-3-pyridinecarbonitrile; 5-formylpyridine-3-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-formylpyridine-3-carbonitrile
Description:	5-Formylnicotinonitrile (CAS# 70416-53-4) is a useful research chemical.
Molecular Weight:	132.12
Molecular Formula:	C7H4N2O
Canonical SMILES:	C1=C(C=NC=C1C=O)C#N
InChI:	InChI=1S/C7H4N2O/c8-2-6-1-7(5-10)4-9-3-6/h1,3-5H
InChI Key:	RWPAJIVRGSWZAB-UHFFFAOYSA-N
Boiling Point:	229.342 °C at 760 mmHg
Density:	1.242 g/cm³
LogP:	0.76578

Publication Number	Title	Priority Date
WO-2019175897-A1	Bicyclic compounds as inhibitors of pd1/pd-l1 interaction/activation	20180313
AU-2019234185-A1	Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation	20180313
KR-20200131845-A	Bicyclic compounds as inhibitors of PD1/PD-L1 interaction/activation	20180313
BR-112020018610-A2	COMPOUNDS OF FORMULA I, FORMULA II, FORMULA III, FORMULA IV, FORMULA V, FORMULA VI, OR ITS POLYMORPHOS, STEREOISOMERS, TAUTOMERS, PROPHARMACES, SOLVATES AND PHARMACEUTICAL MALES OF THE MESOUSLY MESOUS MOSES; PREPARATION PROCESS; PHARMACEUTICAL COMPOSITION; AND METHOD FOR THE TREATMENT AND / OR PREVENTION OF VARIOUS DISEASES, INCLUDING CANCER AND INFECTIOUS DISEASES	20180313
EP-3765453-A1	Bicyclic compounds as inhibitors of pd1/pd-l1 interaction/activation	20180313

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]
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[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.032362755
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.032362755
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0