2,6-Dichloropyridine-3-carbonyl chloride - CAS 58584-83-1

Name: 2,6-Dichloropyridine-3-carbonyl chloride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030094
Product Name:	2,6-Dichloropyridine-3-carbonyl chloride
CAS:	58584-83-1
Synonyms:	2,6-dichloropyridine-3-carbonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2,6-dichloropyridine-3-carbonyl chloride
Description:	2,6-Dichloropyridine-3-carbonyl chloride (CAS# 58584-83-1) is a reactant used in the preparation of semisynthetic derivatives of andrographolide and inhibitors of hepatitis C (HCV) NS5B polymerase.
Molecular Weight:	210.45
Molecular Formula:	C6H2Cl3NO
Canonical SMILES:	C1=CC(=NC(=C1C(=O)Cl)Cl)Cl
InChI:	InChI=1S/C6H2Cl3NO/c7-4-2-1-3(6(9)11)5(8)10-4/h1-2H
InChI Key:	JHMHYTKDALCQSZ-UHFFFAOYSA-N
Appearance:	White to tan solid
MDL:	MFCD11656165
LogP:	2.76740

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113004196-A	N- (benzyloxy) -2-chloronicotinamides compound and preparation method and application thereof	20210310
KR-20210039968-A	Bicyclic compound and use thereof	20191002
US-2021101892-A1	Bicyclic compound and use thereof	20191002
WO-2021066578-A1	Bicyclic compound and use thereof	20191002
US-11111237-B2	Bicyclic compound and use thereof	20191002

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.920197
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.920197
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3