5-Methoxy-7-methyl-4-azaindole - CAS 171780-79-3

Catalog:	BB012770
Product Name:	5-Methoxy-7-methyl-4-azaindole
CAS:	171780-79-3
Synonyms:	5-methoxy-7-methyl-1H-pyrrolo[3,2-b]pyridine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-methoxy-7-methyl-1H-pyrrolo[3,2-b]pyridine
Description:	5-Methoxy-7-methyl-4-azaindole (CAS# 171780-79-3 ) is a useful research chemical.
Molecular Weight:	162.19
Molecular Formula:	C9H10N2O
Canonical SMILES:	CC1=CC(=NC2=C1NC=C2)OC
InChI:	InChI=1S/C9H10N2O/c1-6-5-8(12-2)11-7-3-4-10-9(6)7/h3-5,10H,1-2H3
InChI Key:	OWJNMCVCQVZJEG-UHFFFAOYSA-N
LogP:	1.87990

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	162.079312947
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	162.079312947
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7