2,6-Diamino-3-iodopyridine - CAS 856851-34-8

Catalog:	BB037685
Product Name:	2,6-Diamino-3-iodopyridine
CAS:	856851-34-8
Synonyms:	3-iodopyridine-2,6-diamine; 3-iodopyridine-2,6-diamine

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Computed Properties

IUPAC Name:	3-iodopyridine-2,6-diamine
Description:	2,6-Diamino-3-iodopyridine (CAS# 856851-34-8) is an intermediate in the synthesis of 3-Phenylphenazopyridine (P336120), an impurity of Phenazopyridine (P313751), an azo dye used in treatment of urinary tract infections. Used as an analgesic (urinary tract).
Molecular Weight:	235.03
Molecular Formula:	C5H6IN3
Canonical SMILES:	C1=CC(=NC(=C1I)N)N
InChI:	InChI=1S/C5H6IN3/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H4,7,8,9)
InChI Key:	JRCCUFRNNYDTGN-UHFFFAOYSA-N
LogP:	2.01300

Publication Number	Title	Priority Date
WO-2021023813-A1	5-heteroaryl-pyridin-2-amine confounds as neuropeptide ff receptor antagonists	20190806
WO-2020247804-A1	Heterocycle substituted pyridine derivative antifungal agents	20190607
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
US-2019284182-A1	Inhibitors of plasma kallikrein and uses thereof	20180313
WO-2019178129-A1	Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof	20180313

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GHS Hazard Statement:	H302 (100%): 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:	98.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.96064
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	234.96064
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8