4-Bromo-2-chloropyridine-3-carboxaldehyde - CAS 128071-84-1

Name: 4-Bromo-2-chloropyridine-3-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB006863
Product Name:	4-Bromo-2-chloropyridine-3-carboxaldehyde
CAS:	128071-84-1
Synonyms:	4-bromo-2-chloropyridine-3-carbaldehyde

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Computed Properties

IUPAC Name:	4-bromo-2-chloropyridine-3-carbaldehyde
Description:	4-Bromo-2-chloropyridine-3-carboxaldehyde (CAS# 128071-84-1) is used in the synthesis of N-protected aromatic-ring fused pyrrole-2-carboxylate derivatives.
Molecular Weight:	220.45
Molecular Formula:	C6H3BrClNO
Canonical SMILES:	C1=CN=C(C(=C1Br)C=O)Cl
InChI:	InChI=1S/C6H3BrClNO/c7-5-1-2-9-6(8)4(5)3-10/h1-3H
InChI Key:	KHGMGNDNTOOOLP-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Solid
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.31000

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Related Functional Groups

Pyridines

[14993-80-7]C8H8N2
2-(6-Methylpyridin-2-yl)acetonitrile
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[76006-14-9]C6H4ClN3
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1122-43-6]C7H9NO
3-Hydroxy-2,6-dimethylpyridine

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2021299100-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021186324-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
AU-2012332365-A1	Heteroaryl pyridone and aza-pyridone compounds as inhibitors of Btk activity	20111103
AU-2012332365-B2	Heteroaryl pyridone and aza-pyridone compounds as inhibitors of Btk activity	20111103
AU-2016273930-A1	Heteroaryl pyridone and aza-pyridone compounds as inhibitors of Btk activity	20111103

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.90865
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.90865
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2