5-Formylpyridine-2-carbonitrile - CAS 131747-68-7

Catalog:	BB007489
Product Name:	5-Formylpyridine-2-carbonitrile
CAS:	131747-68-7
Synonyms:	5-formyl-2-pyridinecarbonitrile; 5-formylpyridine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-formylpyridine-2-carbonitrile
Description:	5-Formylpyridine-2-carbonitrile (CAS# 131747-68-7) is an intermediate used for the synthesis of pharmaceutical compounds, such as GLPG0634, which is used for treatment of rheumatoid arthritis.
Molecular Weight:	132.12
Molecular Formula:	C7H4N2O
Canonical SMILES:	C1=CC(=NC=C1C=O)C#N
InChI:	InChI=1S/C7H4N2O/c8-3-7-2-1-6(5-10)4-9-7/h1-2,4-5H
InChI Key:	ZYOAZOZQOTWMEE-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD12755972
LogP:	0.76578

Publication Number	Title	Priority Date
EP-3892332-A1	New anti-malarial agents	20200409
WO-2021204952-A1	New anti-malarial agents	20200409
WO-2021198283-A1	Inhibitors of antigen presentation by hla-dr	20200331
CN-112778337-A	3,6 diazabicyclo [3.1.1] heptane derivatives as RET kinase inhibitors	20191108
WO-2021088911-A1	3,6-diazabicyclo[3.1.1]heptane derivative as ret kinase inhibitor	20191108

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
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[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, 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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4