5-Bromopyrimidine-2-carbaldehyde - CAS 944902-05-0

Catalog:	BB041366
Product Name:	5-Bromopyrimidine-2-carbaldehyde
CAS:	944902-05-0
Synonyms:	5-bromo-2-pyrimidinecarboxaldehyde; 5-bromopyrimidine-2-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromopyrimidine-2-carbaldehyde
Description:	5-Bromopyrimidine-2-carbaldehyde (CAS# 944902-05-0) is a useful research chemical compound.
Molecular Weight:	186.99
Molecular Formula:	C5H3BrN2O
Canonical SMILES:	C1=C(C=NC(=N1)C=O)Br
InChI:	InChI=1S/C5H3BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChI Key:	DCUNSYBCDXVLGH-UHFFFAOYSA-N
Storage:	Inert atmosphere, Store in freezer, under -20 °C
MDL:	MFCD10697139
LogP:	1.05160

Publication Number	Title	Priority Date
WO-2021052892-A1	Piperidinyl amine compounds for the treatment of autoimmune disease	20190916
TW-201815789-A	Compound	20160725
US-10149839-B2	Chemical compounds	20160725
US-2018021316-A1	Chemical compounds	20160725
WO-2018019793-A1	N-(2-(4-((1r,3r)-3-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-1-yl)phenoxy)ethyl)propan-1-amine derivatives and related compounds as selective down-regulators of the estrogen receptor for treating cancer	20160725

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Complexity:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.94288
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.94288
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7