2-(Chloromethyl)-5-methoxypyridine

HCID 14517153CAS 75342-33-5

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Basic information

Standard SMILES: COc1ccc(CCl)nc1
InChIKey: KSBXDCBRSKRVDC-UHFFFAOYSA-N
Molecular formula: C7H8ClNO
Average molar mass: 157.6 g/mol
Monoisotopic mass: 157.0294416

Names & identifiers

Preferred name: 2-(Chloromethyl)-5-methoxypyridine
IUPAC: 2-(chloromethyl)-5-methoxypyridine
English name: 2-(Chloromethyl)-5-methoxypyridine
Molecular formula: C7H8ClNO
Molecular weight: 157.6

Names & synonyms

2-(chloromethyl)-5-methoxypyridine75342-33-52-(CHLOROMETHYL)-5-METHOXY-PYRIDINEMFCD10697536Pyridine, 2-(chloromethyl)-5-methoxy-2-chloromethyl-5-methoxypyridineSCHEMBL1844115SCHEMBL299870126-chloromethyl-3-methoxypyridineDTXSID005612072-chloromethyl-5-methoxy-pyridineKSBXDCBRSKRVDC-UHFFFAOYSA-N

Show more names

AKOS006343755AB59864BS-13334SY317245DB-013926EN300-80011F11620F230715

Database identifiers

CAS: 75342-33-5
PubChem CID: 14517153
DTXSID: DTXSID00561207

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 22.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 99

Physicochemical properties

Boiling point: 240 · 240.0±25.0 °C(Predicted)
Density: 1.173 · 1.173±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 2.23 · 2.23±0.10(Predicted)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312-H314
Precautionary statements: 260 · P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302+H312-H314
Precautionary statements: P260-P264-P270-P280-P301+P312+P330-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P362+P364-P405-P501

Chemistry & industry

Applications · 1 item

Uses2-(Chloromethyl)-5-methoxypyridine is a pharmaceutical intermediate that can be used in the preparation of compounds for the treatment of pain, particularly neuropathic pain or other diseases or disorders associated with AT2R-mediated signalling. This compound can be used in the synthesis of 2-fluoro-4-isobutyl-6-(4-((5-methoxypyridin-2-yl)methyl)piperazin-1-yl)benzonitrile via a nucleophilic substitution reaction.