2-Chloro-7-fluoroquinoline-3-carboxaldehyde - CAS 745830-16-4

Catalog:	BB035114
Product Name:	2-Chloro-7-fluoroquinoline-3-carboxaldehyde
CAS:	745830-16-4
Synonyms:	2-chloro-7-fluoroquinoline-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-7-fluoroquinoline-3-carbaldehyde
Description:	2-Chloro-7-fluoroquinoline-3-carboxaldehyde (CAS# 745830-16-4) is a useful research chemical.
Molecular Weight:	209.60
Molecular Formula:	C10H5ClFNO
Canonical SMILES:	C1=CC(=CC2=NC(=C(C=C21)C=O)Cl)F
InChI:	InChI=1S/C10H5ClFNO/c11-10-7(5-14)3-6-1-2-8(12)4-9(6)13-10/h1-5H
InChI Key:	CZBARWPAXUPUFB-UHFFFAOYSA-N
Boiling Point:	339.3 °C at 760 mmHg
Density:	1.449 g/cm³
LogP:	2.83980

Publication Number	Title	Priority Date
AU-2016279661-A1	Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition for preventing or treating diseases associated with PI3 kinases, containing same as active ingredient	20150618
AU-2016279661-B2	Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition for preventing or treating diseases associated with PI3 kinases, containing same as active ingredient	20150618
CA-2979815-A1	Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition for preventing or treating diseases associated withpi3 kinases, containing same as active ingredient	20150618
EP-3312175-A1	Heteroaryl derivative or pharmaceutically acceptable salt thereof, preparation method therefor, and pharmaceutical composition for preventing or treating diseases associated with pi3 kinases, containing same as active ingredient	20150618
JP-2018522852-A	HETEROARYL DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITIONS FOR PREVENTING OR TREATING PI3-KINASE RELATED DISEASES COMPRISING THE SAME AS THE ACTIVE INGREDIENT	20150618

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.0043696
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	209.0043696
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7