3-Chloro-7-azaindole - CAS 80235-01-4

Catalog:	BB036480
Product Name:	3-Chloro-7-azaindole
CAS:	80235-01-4
Synonyms:	3-chloro-1H-pyrrolo[2,3-b]pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-1H-pyrrolo[2,3-b]pyridine
Description:	3-Chloro-7-azaindole (CAS# 80235-01-4) is a useful research chemical.
Molecular Weight:	152.58
Molecular Formula:	C7H5ClN2
Canonical SMILES:	C1=CC2=C(NC=C2Cl)N=C1
InChI:	InChI=1S/C7H5ClN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChI Key:	PKFDDUMFTQHVFY-UHFFFAOYSA-N
Boiling Point:	312.149 °C at 760 mmHg
Purity:	97.0 %
Density:	1.425 g/cm³
MDL:	MFCD08272228
LogP:	2.21630

Publication Number	Title	Priority Date
TW-202102481-A	Complement modulators and related methods	20190329
WO-2020125640-A1	Estrogen receptor antagonist	20181217
JP-2021525728-A	MASP-2 inhibitor and usage	20180529
CZ-201887-A3	N-heterocyclic carbene complexes of gold with bicyclic N-donor ligands and using these complexes to prepare antitumor therapy medicaments	20180222
CZ-307954-B6	N-heterocyclic carbene complexes of gold with bicyclic N-donor ligands and using these complexes to prepare antitumor therapy medicaments	20180222

PMID	Publication Date	Title	Journal
22922312	20121001	How to modify 7-azaindole to form cytotoxic Pt(II) complexes: highly in vitro anticancer effective cisplatin derivatives involving halogeno-substituted 7-azaindole	Journal of inorganic biochemistry

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, 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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9