4,5-Dichloropyridine-3-carboxaldehyde - CAS 1009334-04-6

Catalog:	BB000393
Product Name:	4,5-Dichloropyridine-3-carboxaldehyde
CAS:	1009334-04-6
Synonyms:	4,5-dichloro-3-pyridinecarboxaldehyde; 4,5-dichloropyridine-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4,5-dichloropyridine-3-carbaldehyde
Description:	4,5-Dichloropyridine-3-carboxaldehyde (CAS# 1009334-04-6) is a useful research chemical.
Molecular Weight:	176.00
Molecular Formula:	C6H3Cl2NO
Canonical SMILES:	C1=C(C(=C(C=N1)Cl)Cl)C=O
InChI:	InChI=1S/C6H3Cl2NO/c7-5-2-9-1-4(3-10)6(5)8/h1-3H
InChI Key:	RYOHOUJPNPVRKU-UHFFFAOYSA-N
LogP:	2.20090

Publication Number	Title	Priority Date
US-2019352276-A1	Inhibitors of bruton's tyrosine kinase	20161118
WO-2018092047-A1	Inhibitors of bruton's tyrosine kinase	20161118
CA-2992926-A1	Peptide macrocycles against acinetobacter baumannii	20151027
EP-3368544-A1	Peptide macrocycles against acinetobacter baumannii	20151027
EP-3368544-B1	Peptide macrocycles against acinetobacter baumannii	20151027

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Related Functional Groups

Carbonyl Compounds

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[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.9591691
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.9591691
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6