3,4-Diamino-2,6-dichloropyridine - CAS 101079-63-4

Catalog:	BB000430
Product Name:	3,4-Diamino-2,6-dichloropyridine
CAS:	101079-63-4
Synonyms:	2,6-dichloropyridine-3,4-diamine; 2,6-dichloropyridine-3,4-diamine

Technical Data

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Computed Properties

IUPAC Name:	2,6-dichloropyridine-3,4-diamine
Description:	3,4-Diamino-2,6-dichloropyridine (CAS# 101079-63-4) is a useful research chemical.
Molecular Weight:	178.02
Molecular Formula:	C5H5Cl2N3
Canonical SMILES:	C1=C(C(=C(N=C1Cl)Cl)N)N
InChI:	InChI=1S/C5H5Cl2N3/c6-3-1-2(8)4(9)5(7)10-3/h1H,9H2,(H2,8,10)
InChI Key:	HDNVWGXGFBVDKV-UHFFFAOYSA-N
Boiling Point:	424.014 °C at 760 mmHg
Density:	1.602 g/cm³
MDL:	MFCD10697689
LogP:	2.71520

Publication Number	Title	Priority Date
US-2021205311-A1	Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors	20200103
US-2021230294-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138498-A1	Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy	20200103
WO-2021138512-A1	Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors	20200103
US-2021032251-A1	Heterobicyclic amides as inhibitors of cd38	20190731

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.9860526
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	176.9860526
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4