Imidazo(1,2-a)pyridine-2-carbaldehyde - CAS 118000-43-4

Catalog:	BB004040
Product Name:	Imidazo(1,2-a)pyridine-2-carbaldehyde
CAS:	118000-43-4
Synonyms:	2-imidazo[1,2-a]pyridinecarboxaldehyde; imidazo[1,2-a]pyridine-2-carbaldehyde

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Computed Properties

IUPAC Name:	imidazo[1,2-a]pyridine-2-carbaldehyde
Description:	Imidazo(1,2-a)pyridine-2-carbaldehyde (CAS# 118000-43-4) is a useful research chemical compound.
Molecular Weight:	146.15
Molecular Formula:	C8H6N2O
Canonical SMILES:	C1=CC2=NC(=CN2C=C1)C=O
InChI:	InChI=1S/C8H6N2O/c11-6-7-5-10-4-2-1-3-8(10)9-7/h1-6H
InChI Key:	QKKKBOZQZHBENG-UHFFFAOYSA-N
Boiling Point:	0 °C
Density:	1.24 g/cm³
Appearance:	Faint yellow to brown powder or crystals
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD06739247
LogP:	1.14680

Publication Number	Title	Priority Date
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
WO-2021122745-A1	4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use	20191216
CN-112574230-A	Peptidyl arginine deiminase inhibitors and uses thereof	20190927
WO-2021057910-A1	Peptidylarginine deiminase inhibitor and use thereof	20190927
TW-202104222-A	Oxadiazole compounds, applications of the same and methods of producing the same	20190408

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

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.048012819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6