Isoquinoline-5-carboxaldehyde - CAS 80278-67-7

Catalog:	BB036485
Product Name:	Isoquinoline-5-carboxaldehyde
CAS:	80278-67-7
Synonyms:	isoquinoline-5-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	isoquinoline-5-carbaldehyde
Description:	Isoquinoline-5-carboxaldehyde (CAS# 80278-67-7) is a useful research chemical.
Molecular Weight:	157.17
Molecular Formula:	C10H7NO
Canonical SMILES:	C1=CC2=C(C=CN=C2)C(=C1)C=O
InChI:	InChI=1S/C10H7NO/c12-7-9-3-1-2-8-6-11-5-4-10(8)9/h1-7H
InChI Key:	ILRSABOCKMOFGW-UHFFFAOYSA-N
Boiling Point:	331.718 °C at 760 mmHg
Density:	1.224 g/cm³
Appearance:	Beige solid
MDL:	MFCD03412483
LogP:	2.04730

Publication Number	Title	Priority Date
CN-111518166-A	Peptide-like compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof	20200520
WO-2021011724-A1	Tricyclic heteroaryl compounds useful as irak4 inhibitors	20190718
WO-2020177128-A1	2,6-diazaspiro[3.4]octane pyrimidine-hydroxamic acid compound and use thereof	20190307
CN-109535167-A	A kind of 1,8- naphthalimide derivative and its synthetic method and application	20181116
US-2019031624-A1	Therapeutic compounds and methods to treat infection	20170728

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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GHS Hazard Statement:	H302 (82.61%): 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:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.052763847
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6