4-Bromo-6-methoxyquinoline - CAS 42881-66-3

Catalog:	BB025270
Product Name:	4-Bromo-6-methoxyquinoline
CAS:	42881-66-3
Synonyms:	4-bromo-6-methoxyquinoline

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-6-methoxyquinoline
Description:	4-Bromo-6-methoxyquinoline (CAS# 42881-66-3) is a useful research chemical.
Molecular Weight:	238.08
Molecular Formula:	C10H8BrNO
Canonical SMILES:	COC1=CC2=C(C=CN=C2C=C1)Br
InChI:	InChI=1S/C10H8BrNO/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-6H,1H3
InChI Key:	HRFFYKLVLCFCQG-UHFFFAOYSA-N
Boiling Point:	336.9 °C at 760 mmHg
Purity:	95 %
Density:	1.516 g/cm³
MDL:	MFCD08437074
LogP:	3.00590

Publication Number	Title	Priority Date
WO-2021150954-A1	Bacterial topoisomerase inhibitors derived from isomannide	20200124
WO-2021092525-A1	Wdr5 inhibitors and modulators	20191108
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
WO-2020247679-A1	Wdr5 inhibitors and modulators	20190604

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Related Functional Groups

Quinoline/Isoquinoline

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2,5-Dichloro-8-methylquinoline-3-carboxaldehyde
[938459-19-9]
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[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[77156-78-6]
4-Hydroxy-6-methoxyquinoline-3-carboxylic acid ethyl ester
[27356-52-1]
2-Ethyl-3-methylquinoline
[142425-92-1]
ethyl 4-aminoquinoline-2-carboxylate

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501
Signal Word:	Danger

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.97893
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.97893
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9