4-Bromo-2,6-diaminopyridine - CAS 329974-09-6

Catalog:	BB021512
Product Name:	4-Bromo-2,6-diaminopyridine
CAS:	329974-09-6
Synonyms:	4-bromopyridine-2,6-diamine; 4-bromopyridine-2,6-diamine

Technical Data

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Computed Properties

IUPAC Name:	4-bromopyridine-2,6-diamine
Description:	4-Bromo-2,6-diaminopyridine (CAS# 329974-09-6) is a versatile reactant used in the preparation of a uracil DNA glycosylase which is a DNA repair enzyme with selective recognition of uracil and its derivatives.
Molecular Weight:	188.03
Molecular Formula:	C5H6BrN3
Canonical SMILES:	C1=C(C=C(N=C1N)N)Br
InChI:	InChI=1S/C5H6BrN3/c6-3-1-4(7)9-5(8)2-3/h1-2H,(H4,7,8,9)
InChI Key:	KXHPZYVKCDTIHE-UHFFFAOYSA-N
Boiling Point:	352.697 ℃ at 760 mmHg
Density:	1.818 g/cm³
Appearance:	Solid
MDL:	MFCD04115308
LogP:	2.17090

Publication Number	Title	Priority Date
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
EP-3284739-A1	Substituted (het) aryl compounds as pesticides	20170719
CN-108314680-A	One kind containing aromatic compound, preparation method, pharmaceutical composition and application	20170116
CN-110177784-A	One kind containing aromatic compound, preparation method, pharmaceutical composition and application	20170116
WO-2018130227-A1	Aromatic ring-containing compound, preparation method therefor, pharmaceutical composition, and use	20170116

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	88.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.97451
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	186.97451
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8