5-Hydroxy-2-methoxypyridine

HCID 11622335

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Basic information

CAS: 51834-97-0
Standard SMILES: COc1ccc(O)cn1
InChIKey: LKBKDKVMHWPZDB-UHFFFAOYSA-N
Molecular formula: C6H7NO2
Average molar mass: 125.13 g/mol
Monoisotopic mass: 125.04767846

Names & identifiers

Preferred name: 5-Hydroxy-2-methoxypyridine
IUPAC: 6-methoxypyridin-3-ol
English name: 5-Hydroxy-2-methoxypyridine
Molecular formula: C6H7NO2
Molecular weight: 125.13

Names & synonyms

5-Hydroxy-2-methoxypyridine51834-97-0DTXSID30469560RefChem:303384DTXCID30420378690-478-26-methoxypyridin-3-ol5-Hydroxy-2-methoxylpyridine2-Methoxy-5-hydroxypyridineMFCD068587373-Pyridinol, 6-methoxy-6-Methoxy-3-pyridinol

Show more names

Aficamten Impurity 96-METHOXY-HYDROXY-PYRIDINE5-hydroxy-2-methoxypridine5-HYDROXY-2-METHOXYPYRIDIN3-Pyridinol,6-methoxy-(9CI)

6-METHOXY-PYRIDIN-3-OLPyronoprene Impurity 486-Methoxy-3-hydroxypyridineSCHEMBL177831SCHEMBL323693SCHEMBL4815500SCHEMBL31435885LKBKDKVMHWPZDB-UHFFFAOYSA-N

Database identifiers

CAS: 51834-97-0
PubChem CID: 11622335
DTXSID: DTXSID30469560
EC Number: 690-478-2
Nikkaji: J3.358.761I

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 87.1

Physicochemical properties

Melting point: 81 °C · 81 °C
Boiling point: 330.1 · 330.1±22.0 °C(Predicted)
Density: 1.19 · 1.190±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
form: crystalline powder
pka: 9.69 · 9.69±0.10(Predicted)
color: Lemony beige
InChI: InChI=1S/C6H7NO2/c1-9-6-3-2-5(8)4-7-6/h2-4,8H,1H3
InChIKey: LKBKDKVMHWPZDB-UHFFFAOYSA-N
SMILES: C1=NC(OC)=CC=C1O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H332-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
HazardClass: IRRITANT
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.