4-Amino-pyridine-3-carboxaldehyde - CAS 42373-30-8

Catalog:	BB025117
Product Name:	4-Amino-pyridine-3-carboxaldehyde
CAS:	42373-30-8
Synonyms:	4-aminopyridine-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-aminopyridine-3-carbaldehyde
Description:	4-Aminonicotinaldehyde acts as a reagent used in the preparation of 2,3-disubstituted 1,6-naphthyridines as a potential diurectic agents.
Molecular Weight:	122.12
Molecular Formula:	C6H6N2O
Canonical SMILES:	C1=CN=CC(=C1N)C=O
InChI:	InChI=1S/C6H6N2O/c7-6-1-2-8-3-5(6)4-9/h1-4H,(H2,7,8)
InChI Key:	GTPZHMGXKZIHKW-UHFFFAOYSA-N
Boiling Point:	342.2 °C at 760 mmHg
Density:	1.264 g/cm³
Appearance:	Powder
MDL:	MFCD04038972
LogP:	1.05750

Publication Number	Title	Priority Date
CN-112979655-A	Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof	20191216
WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
WO-2021058592-A1	Herbicidal compounds	20190924
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
US-2020155538-A1	Quinoline derivatives	20181030

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GHS Hazard Statement:	H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	122.048012819
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	122.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	56 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2