6-Chloro-4-azaindole - CAS 1021339-19-4

Catalog:	BB000786
Product Name:	6-Chloro-4-azaindole
CAS:	1021339-19-4
Synonyms:	6-chloro-1H-pyrrolo[3,2-b]pyridine; 6-chloro-1H-pyrrolo[3,2-b]pyridine

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Computed Properties

IUPAC Name:	6-chloro-1H-pyrrolo[3,2-b]pyridine
Description:	6-Chloro-4-azaindole (CAS# 1021339-19-4) is a useful research chemical.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CNC2=CC(=CN=C21)Cl
InChI:	InChI=1S/C7H5ClN2/c8-5-3-7-6(10-4-5)1-2-9-7/h1-4,9H
InChI Key:	UWROBKHIEKWFAJ-UHFFFAOYSA-N
Boiling Point:	290.5 °C at 760 mmHg
Density:	1.425 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD10574982
LogP:	2.21630

Publication Number	Title	Priority Date
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
WO-2017205684-A1	Combination therapies with farnesoid x receptor (fxr) modulators	20160525
US-2020397798-A1	Combination therapies with farnesoid x receptor (fxr) modulators	20160525
WO-2017133657-A1	Pyridine and pyrimidine derivatives and their use in treatment, amelioration or prevention of influenza	20160205
EP-3402797-B1	Heterocycle derivatives as pesticides	20160111

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.0141259
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7