5-Bromo-6-methylquinoline - CAS 65513-45-3

Catalog:	BB032748
Product Name:	5-Bromo-6-methylquinoline
CAS:	65513-45-3
Synonyms:	5-bromo-6-methylquinoline; 5-bromo-6-methylquinoline

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-6-methylquinoline
Description:	5-Bromo-6-methylquinoline (CAS# 65513-45-3) is a useful research chemical.
Molecular Weight:	222.08
Molecular Formula:	C10H8BrN
Canonical SMILES:	CC1=C(C2=C(C=C1)N=CC=C2)Br
InChI:	InChI=1S/C10H8BrN/c1-7-4-5-9-8(10(7)11)3-2-6-12-9/h2-6H,1H3
InChI Key:	CHONOBMGSBMLDE-UHFFFAOYSA-N
LogP:	3.30570

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
WO-2019016269-A1	MODULATORS OF LXR BASED ON AMINE OR (THIO) AMIDE	20170718
EP-2094686-A1	5-{2-[4-(2-methyl-5-quinolinyl)-l-piperidinyl]ethyl} quinolinone derivatives as 5ht1a receptor modulators for treating sexual dysfunction, cognition impairement, psychotic disorders, anxiety, depression, etc.	20060926
JP-2010504367-A	5- {2- [4- (2-methyl-5-quinolinyl) -L-piperidinyl] ethyl} as a 5HT1A receptor modulator for treating sexual dysfunction, cognitive impairment, psychotic disorder, anxiety, depression, etc. Quinolinone derivatives	20060926

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Related Functional Groups

Quinoline/Isoquinoline

[312713-96-5]
7-Chloro-6-methyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
[4038-97-5]
7-Methoxy-4-(piperazin-1-yl)quinoline
[24782-43-2]
Ethyl 4-hydroxy-2-quinolinecarboxylate
[119-65-3]
Isoquinoline
[1532-72-5]
Isoquinoline N-oxide
[134469-47-9]
Isoquinoline, 1-(chloromethyl)-3,4-dihydro-3,3-dimethyl-, hydrochloride

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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:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.98401
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.98401
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2