CAS 72093-07-3 5-Chloro-2-methylpyridine (HCID 2762869)

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Basic information

CAS: 72093-07-3
Standard SMILES: Cc1ccc(Cl)cn1
InChIKey: DEMKNLXJQNYAFY-UHFFFAOYSA-N
Molecular formula: C6H6ClN
Average molar mass: 127.57 g/mol
Monoisotopic mass: 127.01887687

Names & identifiers

Preferred name: 5-Chloro-2-methylpyridine
IUPAC: 5-chloro-2-methylpyridine
English name: 5-Chloro-2-picoline
Molecular formula: C6H6ClN
Molecular weight: 127.57

Names & synonyms

5-chloro-2-methylpyridine72093-07-3DTXSID10376526RefChem:302444DTXCID703275545-Chloro-2-picoline2-METHYL-5-CHLOROPYRIDINEMFCD041141885-chloro-2-methyl-pyridinePYRIDINE, 5-CHLORO-2-METHYL-SCHEMBL111140AKOS006228306

Show more names

5-Chloro-3-methylpyridine3-Chloro-6-methylpyridine5-CHLORO-2-PICOLINE ISO 9001：2015 REACH5-CHLORO-2-PICOLINE5-CHLORO-2-METHYLPYRIDINE5-CHLORO-2-METHYLPYRIDINE (5-CHLORO-2-PICOLINE)

AMY6284SCHEMBL792214AB17SCHEMBL1311357SCHEMBL3837669SCHEMBL18668181SCHEMBL31171066BBL101715

Database identifiers

CAS: 72093-07-3
PubChem CID: 2762869
DTXSID: DTXSID10376526
Nikkaji: J2.238.660C

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 74.9

Physicochemical properties

Boiling point: 163 · 163.0±0.0 °C(Predicted)
Density: 1.15 · 1.150±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 3.67 · 3.67±0.10(Predicted)
form: Solid or liquid
Appearance: Colorless to off-white Solid-Liquid Mixture
InChI: InChI=1S/C6H6ClN/c1-5-2-3-6(7)4-8-5/h2-4H,1H3
InChIKey: DEMKNLXJQNYAFY-UHFFFAOYSA-N
SMILES: C1(C)=NC=C(Cl)C=C1
CAS DataBase Reference: 72093 · 72093-07-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2933399990 · 2933399990

Safety & regulation

Safety data

hs_code: 2933399990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses5-Chloro-2-picoline is an organic reagent that can be used as a reaction reagent for the synthesis of alkyl-substituted pyridines via directed palladium(II)-catalyzed C-H activation of alkanoic acid amides. It has also been shown to have antitumour activity, inhibiting the growth of tumour cells, thereby preventing DNA replication and transcription.