4-Hydroxy-5-methoxy-2-pyridinecarboxaldehyde - CAS 204847-72-3

Catalog:	BB064339
Product Name:	4-Hydroxy-5-methoxy-2-pyridinecarboxaldehyde
CAS:	204847-72-3
Synonyms:	4-hydroxy-5-methoxy-2-pyridinecarbaldehyde; 4-hydroxy-5-methoxypyridine-2-carbaldehyde; 4-Hydroxy-5-methoxypicolinaldehyde; 5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde; 2-Pyridinecarboxaldehyde, 4-hydroxy-5-methoxy- (9CI)

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-methoxy-4-oxo-1H-pyridine-2-carbaldehyde
Description:	4-Hydroxy-5-Methoxy-2-Pyridinecarbaldehyde is used in the synthesis of N-substituted γ-pyridones
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	COC1=CNC(=CC1=O)C=O
InChI:	InChI=1S/C7H7NO3/c1-11-7-3-8-5(4-9)2-6(7)10/h2-4H,1H3,(H,8,10)
InChI Key:	UVMABDMIQMSWRL-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0