2-Chloro-5-fluoro-3-nitropyridine - CAS 136888-21-6

Catalog:	BB008464
Product Name:	2-Chloro-5-fluoro-3-nitropyridine
CAS:	136888-21-6
Synonyms:	2-chloro-5-fluoro-3-nitropyridine; 2-chloro-5-fluoro-3-nitropyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-fluoro-3-nitropyridine
Description:	2-Chloro-5-fluoro-3-nitropyridine (CAS# 136888-21-6) is a useful research chemical.
Molecular Weight:	176.53
Molecular Formula:	C5H2ClFN2O2
Canonical SMILES:	C1=C(C(=NC=C1F)Cl)[N+](=O)[O-]
InChI:	InChI=1S/C5H2ClFN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChI Key:	SVVZGNAZMPSGMU-UHFFFAOYSA-N
Boiling Point:	246.166 °C at 760 mmHg
Density:	1.595 g/cm³
Appearance:	Yellow crystals
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD06659490
LogP:	2.30550

Publication Number	Title	Priority Date
CN-111848591-A	HDAC inhibitors and methods of making and using the same	20190425
WO-2020216298-A1	Hdac inhibitor, preparation method therefor and use thereof	20190425
US-2020055874-A1	INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION	20180820
WO-2020041169-A2	Inhibitors of keap1-nrf2 protein-protein interaction	20180820
TW-202021594-A	Inhibitors of keap1-nrf2 protein-protein interaction	20180820

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GHS Hazard Statement:	H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.9788832
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.9788832
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7