吡啶-2,6-二醇

Description

pyridine-2,6-diol · CAS 626-06-2 · C5H5NO2. UNII 54009B6TXP. Collision Cross Section: 114.2 Ų [M-H]-; Collision Cross Section: 119.7 Ų [M+H]+.

Identification

CAS Registry Number	626-06-2
PubChem CID	69371
Molecular formula	C5H5NO2
IUPAC name	6-hydroxy-1H-pyridin-2-one
UNII (FDA)	54009B6TXP

Computed Descriptors

Molecular Weight	111.10
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	111.032028402
Monoisotopic Mass	111.032028402
Topological Polar Surface Area	49.3
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	114.2 Ų [M-H]-
Collision Cross Section	119.7 Ų [M+H]+

Physical description & handling notes

• 120.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID40145904]
• 115.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID40145904]
• 113.8 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
• 119.5 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Synonyms

2,6-Dihydroxypyridine; 626-06-2; Pyridine-2,6-diol; 2(1H)-Pyridinone, 6-hydroxy-; 2(1H)-Pyridone, 6-hydroxy-; 54009B6TXP; CHEBI:17681; 6-oxidanyl-1H-pyridin-2-one; DTXSID90211643; 2,6-dihydroxy-pyridine; RefChem:908886; 2,6-DHP; DTXCID20134134; 210-927-4; 2,6-Pyridinediol; 6-hydroxy-1H-pyridin-2-one

Frequently Asked Questions

What are the CAS number and molecular formula of pyridine-2,6-diol?

CAS 626-06-2; molecular formula C5H5NO2; molecular weight — g/mol.

What other names is pyridine-2,6-diol known by?

2,6-Dihydroxypyridine, 626-06-2, Pyridine-2,6-diol, 2(1H)-Pyridinone, 6-hydroxy-, 2(1H)-Pyridone, 6-hydroxy-, 54009B6TXP.

What are the key physical properties of pyridine-2,6-diol?

Collision Cross Section: 114.2 Ų [M-H]-; Collision Cross Section: 119.7 Ų [M+H]+.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.