3-Chloro-5-cyanopyridine-2-carboxylic acid

HCID 50853176

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1200497-81-9
Standard SMILES: N#Cc1cnc(C(=O)O)c(Cl)c1
InChIKey: NHQRPMDOQOKWPU-UHFFFAOYSA-N
Molecular formula: C7H3ClN2O2
Average molar mass: 182.56 g/mol
Monoisotopic mass: 181.988305

Names & identifiers

Preferred name: 3-Chloro-5-cyanopyridine-2-carboxylic acid
IUPAC: 3-chloro-5-cyanopyridine-2-carboxylic acid
English name: 2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid
Molecular formula: C7H3ClN2O2
Molecular weight: 182.56

Names & synonyms

1200497-81-93-chloro-5-cyanopyridine-2-carboxylic acidDTXSID00678884RefChem:93459DTXCID40629633839-588-63-Chloro-5-cyanopicolinic acid3-chloro-5-cyano-2-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 3-chloro-5-cyano-3-chloro-5-cyano-pyridine-2-carboxylic acidMFCD145848173-Chloro-5-cyanopicolinic acid3-chloro-5-cyanopicolinic acid

Show more names

2-Carboxy-3-chloro-5-cyanopyridine2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolinic acid

2-Carboxy-3-chloro-5-cyanopyridine, 6-Carboxy-5-chloropyridine-3-carbonitrile, 3-Chloro-5-cyanopicolchloro-5-cyanopicolinic acid3-Chloro-5-cyanopicolinicacidSCHEMBL1173688NHQRPMDOQOKWPU-UHFFFAOYSA-NAYB49781SBB089957AKOS005071736

Database identifiers

CAS: 1200497-81-9
PubChem CID: 50853176
DTXSID: DTXSID00678884
EC Number: 839-588-6

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 74 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 235

Physicochemical properties

Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301
Precautionary statements: 301 · P301+P310
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.