5-Methyl-3H-imidazo[4,5-b]pyridine - CAS 27582-24-7

Catalog:	BB019617
Product Name:	5-Methyl-3H-imidazo[4,5-b]pyridine
CAS:	27582-24-7
Synonyms:	5-methyl-1H-imidazo[4,5-b]pyridine; 5-methyl-1H-imidazo[4,5-b]pyridine

Technical Data

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Computed Properties

IUPAC Name:	5-methyl-1H-imidazo[4,5-b]pyridine
Description:	5-Methyl-3H-imidazo[4,5-b]pyridine (CAS# 27582-24-7) is a useful research chemical.
Molecular Weight:	133.15
Molecular Formula:	C7H7N3
Canonical SMILES:	CC1=NC2=C(C=C1)NC=N2
InChI:	InChI=1S/C7H7N3/c1-5-2-3-6-7(10-5)9-4-8-6/h2-4H,1H3,(H,8,9,10)
InChI Key:	IANINCNCSTYFSO-UHFFFAOYSA-N
LogP:	1.26630

Publication Number	Title	Priority Date
WO-2020264292-A1	Cxcr4 inhibitors and uses thereof	20190626
AU-2018218965-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
AU-2018218965-B2	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
CA-3049643-A1	Novel heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same	20170207
CN-110191882-A	Novel heterocyclic compounds, preparation method and the pharmaceutical composition comprising it	20170207

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.063997236
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.063997236
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2