2,4-Dichloro-5-nitropyridine - CAS 4487-56-3

Catalog:	BB025719
Product Name:	2,4-Dichloro-5-nitropyridine
CAS:	4487-56-3
Synonyms:	2,4-dichloro-5-nitropyridine; 2,4-dichloro-5-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	2,4-dichloro-5-nitropyridine
Description:	2,4-Dichloro-5-nitropyridine (CAS# 4487-56-3) is used in the synthesis of potent and selective stearoyl-CoA desaturase (SCD) inhibitors. Also used in preparation of Rho-Kinase inhibitors displaying antihypertensive activity.
Molecular Weight:	192.99
Molecular Formula:	C5H2Cl2N2O2
Canonical SMILES:	C1=C(C(=CN=C1Cl)[N+](=O)[O-])Cl
InChI:	InChI=1S/C5H2Cl2N2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H
InChI Key:	RZVJQUMDJUUBBF-UHFFFAOYSA-N
Boiling Point:	282.329 °C at 760 mmHg
Density:	1.63 g/cm³
MDL:	MFCD07368834
LogP:	2.81980

Publication Number	Title	Priority Date
CN-113493436-A	Amino-substituted pyridine derivative and preparation method, pharmaceutical composition and application thereof	20200403
WO-2021158707-A1	Methods and compounds for the treatment of genetic disease	20200203
WO-2021041237-A1	Thyroid hormone receptor beta agonist compounds	20190823
CN-112390852-A	Compound as protein degradation agent and preparation method and application thereof	20190814
US-2021040115-A1	Fused ring heteroaryl compounds as ripk1 inhibitors	20190809

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GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.9493327
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.9493327
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3