4-Amino-2-chloro-5-iodopyridine - CAS 800402-12-4

Catalog:	BB036459
Product Name:	4-Amino-2-chloro-5-iodopyridine
CAS:	800402-12-4
Synonyms:	2-chloro-5-iodo-4-pyridinamine; 2-chloro-5-iodopyridin-4-amine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-iodopyridin-4-amine
Description:	4-Amino-2-chloro-5-iodopyridine (CAS# 800402-12-4) is a useful research chemical.
Molecular Weight:	254.46
Molecular Formula:	C5H4ClIN2
Canonical SMILES:	C1=C(C(=CN=C1Cl)I)N
InChI:	InChI=1S/C5H4ClIN2/c6-5-1-4(8)3(7)2-9-5/h1-2H,(H2,8,9)
InChI Key:	DEJUUKULVAIMNF-UHFFFAOYSA-N
Boiling Point:	367.751 °C at 760 mmHg
Density:	2.139 g/cm³
Appearance:	White to yellow and faint beige to beige and faint brown to light brown and yellow-brown powder or solid or chunks
MDL:	MFCD09834661
LogP:	2.50300

Publication Number	Title	Priority Date
WO-2021067569-A1	Substituted 1, 6-naphthyridine inhibitors of cdk5	20191001
WO-2020186027-A1	Inhibitors of cgas for treating autoinflammatory diseases and cancer metastasis	20190313
CN-110981895-A	Transition metal complexes, polymers, mixtures, compositions and organic electronic devices	20181217
WO-2020021024-A1	Substituted bicyclic compounds as modulators of the aryl hydrocarbon receptor (ahr)	20180726
AU-2018216955-A1	Aryl hydrocarbon receptor (AhR) modulator compounds	20170201

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	253.91077
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	253.91077
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8