2,6-Dichloro-3-nitropyridin-4-amine

HCID 282740

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2897-43-0
Standard SMILES: Nc1cc(Cl)nc(Cl)c1[N+](=O)[O-]
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
Molecular formula: C5H3Cl2N3O2
Average molar mass: 208 g/mol
Monoisotopic mass: 206.9602317

Names & identifiers

Preferred name: 2,6-Dichloro-3-nitropyridin-4-amine
IUPAC: 2,6-dichloro-3-nitropyridin-4-amine
English name: 2,6-Dichloro-3-nitro-4-aminopyridine
Molecular formula: C5H3Cl2N3O2
Molecular weight: 208

Names & synonyms

2,6-dichloro-3-nitropyridin-4-amineDTXSID60300391RefChem:445383DTXCID10251526867-667-52897-43-04-AMINO-2,6-DICHLORO-3-NITROPYRIDINE2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE4-Pyridinamine, 2,6-dichloro-3-nitro-2,6-dichloro-3-nitro-pyridin-4-ylamineMFCD032657542,6-Dichloro-3-nitro-pyridin-4-amine

Show more names

(2,6-dichloro-3-nitro-4-pyridyl)amineNSC 136572PYRIDINE DERIVATIVE2897-43-06-DICHLORO-3-NITRO-4-AMINOPYRIDINE5-Amino-2,6-dichloro-3-nitropyridine

2,6-dichloro-3-nitro-4-pyridinamine2,6-Dichloro-4-amino-5-nitropyridine2,6-dichloro-4-amino-3-nitropyridineNSC1365722,6-dichloro-3-nitropyridin-4-ylamineSCHEMBL260778orb1908108SCHEMBL29462393

Database identifiers

CAS: 2897-43-0
PubChem CID: 282740
DTXSID: DTXSID60300391
EC Number: 867-667-5
Nikkaji: J3.311.549K

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 148 · 148-150°C
Boiling point: 426.6 · 426.6±40.0 °C(Predicted)
Density: 1.723 · 1.723
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
solubility: soluble in Chloroform, Methanol
pka: -3.65 · -3.65±0.50(Predicted)
form: powder
color: Light yellow to light beige
InChI: InChI=1S/C5H3Cl2N3O2/c6-3-1-2(8)4(10(11)12)5(7)9-3/h1H,(H2,8,9)
InChIKey: KJVKGYRFRFXCQQ-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=CC(N)=C1[N+]([O-])=O
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26
HS Code: 2933399990 · 2933399990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 3 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2933399990
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Hazard statements: H302-H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE is a synthetic compound that inhibits tyrosine kinases. It is an isomer of 2,6-Dichloropyridine and has been shown to inhibit the growth of lymphoma cells in vitro. 2,6-DICHLORO-3-NITRO-4-AMINOPYRIDINE has three substitutions on the pyridine ring as compared to 2,6-Dichloropyridine. The substitutions are thought to be responsible for the increased hydrophilic properties of this compound. This may lead to increased cellular uptake and better bioavailability.