5-Methyl-1H-pyrrolo[2,3-b]pyridine - CAS 824-52-2

Name: 5-Methyl-1H-pyrrolo[2,3-b]pyridine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036833
Product Name:	5-Methyl-1H-pyrrolo[2,3-b]pyridine
CAS:	824-52-2
Synonyms:	1H-Pyrrolo[2,3-b]pyridine, 5-methyl-; 5-Methyl-7-azaindole

Technical Data

IUPAC Name:	5-methyl-1H-pyrrolo[2,3-b]pyridine
Description:	An intermediate for preparation of pyrrolopyridine compounds as protein kinase modulators useful in treatment of diseases associated with aberrant activity of protein kinases.
Molecular Weight:	132.16
Molecular Formula:	C8H8N2
Canonical SMILES:	CC1=CN=C2C(=C1)C=CN2
InChI:	InChI=1S/C8H8N2/c1-6-4-7-2-3-9-8(7)10-5-6/h2-5H,1H3,(H,9,10)
InChI Key:	DJCJHFFRHKGOCQ-UHFFFAOYSA-N
Boiling Point:	365.4±15.0°C at 760 mmHg
Melting Point:	138-139°C
Purity:	95%
Density:	1.17±0.1 g/cm3
Appearance:	Solid
Storage:	Store at 2-8°C
MDL:	MFCD06659674
LogP:	1.87130

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P332+P313, P362, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021121396-A1	Tricyclic compound that acts as plasma kallikrein inhibitor and use thereof	20191220
US-2021171461-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113686-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113690-A1	Masp-2 inhibitors and methods of use	20191204
WO-2021113698-A1	Masp-2 inhibitors and methods of use	20191204

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.068748264
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	132.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7