2-Oxo-1,2-dihydropyridine-3-carbaldehyde - CAS 36404-89-4

Catalog:	BB022960
Product Name:	2-Oxo-1,2-dihydropyridine-3-carbaldehyde
CAS:	36404-89-4
Synonyms:	2-oxo-1H-pyridine-3-carboxaldehyde; 2-oxo-1H-pyridine-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-oxo-1H-pyridine-3-carbaldehyde
Description:	2-Oxo-1,2-dihydropyridine-3-carbaldehyde (CAS# 36404-89-4) is a useful research chemical.
Molecular Weight:	123.11
Molecular Formula:	C6H5NO2
Canonical SMILES:	C1=CNC(=O)C(=C1)C=O
InChI:	InChI=1S/C6H5NO2/c8-4-5-2-1-3-7-6(5)9/h1-4H,(H,7,9)
InChI Key:	DNTYEVWEOFZXFE-UHFFFAOYSA-N
Boiling Point:	393.6 °C at 760 mmHg
Density:	1.365 g/cm³
Appearance:	Solid
MDL:	MFCD07698588
LogP:	0.18740

Publication Number	Title	Priority Date
WO-2021185256-A1	Substituted pyrimidine or pyridine amine derivative, composition thereof, and medical use thereof	20200316
DE-102019210986-A1	Increasing the stability of agents for treating keratin material	20190724
WO-2021013419-A1	Increasing the stability of agents for treating keratin material	20190724
WO-2020085234-A1	Morphinan derivative	20181022
WO-2020047184-A1	PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS AS INHIBITORS OF TAM AND MET KINASES	20180830

PMID	Publication Date	Title	Journal
22112009	20120217	2-Pyridone and derivatives: gas-phase acidity, proton affinity, tautomer preference, and leaving group ability	The Journal of organic chemistry

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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:	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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1