4-Chloro-1H-imidazo[4,5-c]pyridine - CAS 2770-01-6

Catalog:	BB019652
Product Name:	4-Chloro-1H-imidazo[4,5-c]pyridine
CAS:	2770-01-6
Synonyms:	4-chloro-1H-imidazo[4,5-c]pyridine; 4-chloro-1H-imidazo[4,5-c]pyridine

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IUPAC Name:	4-chloro-1H-imidazo[4,5-c]pyridine
Description:	4-Chloro-1H-imidazo[4,5-c]pyridine (CAS# 2770-01-6) is used as a reagent in the synthesis of 3-bromo-3-deazaneplanocin and 3-bromo-3-deazaaristeromycin, compounds which exhibit antiviral activity.
Molecular Weight:	153.57
Molecular Formula:	C6H4ClN3
Canonical SMILES:	C1=CN=C(C2=C1NC=N2)Cl
InChI:	InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H,9,10)
InChI Key:	DHJMLXBBZRWBPW-UHFFFAOYSA-N
Boiling Point:	455.4 °C at 760 mmHg
Density:	1.531 g/cm³
MDL:	MFCD08689582
LogP:	1.61130

Publication Number	Title	Priority Date
CN-113512042-A	Substituted quinazoline-4-ketone compound and preparation method and application thereof	20200409
WO-2021123294-A1	Oga inhibitor compounds	20191218
WO-2020210649-A1	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
TW-202103708-A	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
TW-202003471-A	SHP2 phosphatase inhibitors and methods of use thereof	20180321

PMID	Publication Date	Title	Journal
22795626	20120815	3-Bromo-3-deazaneplanocin and 3-bromo-3-deazaaristeromycin: synthesis and antiviral activity	Bioorganic & medicinal chemistry letters
7699695	19950317	3-deaza- and 7-deaza-5'-noraristeromycin and their antiviral properties	Journal of medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0093748
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4