2-Chloro-8-methylquinoline-3-methanol - CAS 333408-31-4

Catalog:	BB021673
Product Name:	2-Chloro-8-methylquinoline-3-methanol
CAS:	333408-31-4
Synonyms:	(2-chloro-8-methylquinolin-3-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-chloro-8-methylquinolin-3-yl)methanol
Description:	2-Chloro-8-methylquinoline-3-methanol (CAS# 333408-31-4) is a useful research chemical.
Molecular Weight:	207.66
Molecular Formula:	C11H10ClNO
Canonical SMILES:	CC1=CC=CC2=CC(=C(N=C12)Cl)CO
InChI:	InChI=1S/C11H10ClNO/c1-7-3-2-4-8-5-9(6-14)11(12)13-10(7)8/h2-5,14H,6H2,1H3
InChI Key:	GQLHTRIZUUCKGQ-UHFFFAOYSA-N
Boiling Point:	368.7 °C at 760 mmHg
Density:	1.307 g/cm³
LogP:	2.68890

Publication Number	Title	Priority Date
EP-2403847-A1	Triazine derivatives as kinase inhibitors	20090306
EP-2403847-B1	Triazine derivatives as kinase inhibitors	20090306
ES-2568508-T3	Triazine derivatives as kinase inhibitors	20090306
US-2012053167-A1	Triazine Derivatives as Kinase Inhibitors	20090306
US-8785628-B2	Triazine derivatives as kinase inhibitors	20090306

PMID	Publication Date	Title	Journal
21587789	20100605	(2-Chloro-8-methyl-quinolin-3-yl)methanol	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Quinoline/Isoquinoline

[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[36034-54-5]
4-Methoxyisoquinoline
[1203578-65-7]
7-Bromo-2-phenylquinoline
[891782-60-8]
7-Bromo-3,4-dihydro-2H-isoquinolin-1-one

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:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0450916
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6