6-Oxo-1,6-dihydropyridine-2-carbaldehyde - CAS 358751-77-6

Catalog:	BB022781
Product Name:	6-Oxo-1,6-dihydropyridine-2-carbaldehyde
CAS:	358751-77-6
Synonyms:	6-oxo-1H-pyridine-2-carboxaldehyde; 6-oxo-1H-pyridine-2-carbaldehyde

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	6-oxo-1H-pyridine-2-carbaldehyde
Description:	6-Oxo-1,6-dihydropyridine-2-carbaldehyde (CAS# 358751-77-6) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	123.11
Molecular Formula:	C6H5NO2
Canonical SMILES:	C1=CC(=O)NC(=C1)C=O
InChI:	InChI=1S/C6H5NO2/c8-4-5-2-1-3-6(9)7-5/h1-4H,(H,7,9)
InChI Key:	KRZYMTAWRSVBPH-UHFFFAOYSA-N
MDL:	MFCD10688270
LogP:	0.59970

Publication Number	Title	Priority Date
WO-2021013978-A1	Targeted radiopharmaceuticals for the diagnosis and treatment of prostate cancer	20190725
DE-102019210986-A1	Increasing the stability of agents for treating keratin material	20190724
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CN-109071497-A	PAD4 heteroaryl inhibitors	20160223
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.032028402
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1