5-Bromo-3-fluoropyridine-2-carboxaldehyde - CAS 669066-93-7

Catalog:	BB033136
Product Name:	5-Bromo-3-fluoropyridine-2-carboxaldehyde
CAS:	669066-93-7
Synonyms:	5-bromo-3-fluoro-2-pyridinecarboxaldehyde; 5-bromo-3-fluoropyridine-2-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-fluoropyridine-2-carbaldehyde
Description:	5-Bromo-3-fluoropyridine-2-carboxaldehyde (CAS# 669066-93-7) is a useful research chemical compound.
Molecular Weight:	204.00
Molecular Formula:	C6H3BrFNO
Canonical SMILES:	C1=C(C(=NC=C1Br)C=O)F
InChI:	InChI=1S/C6H3BrFNO/c7-4-1-5(8)6(3-10)9-2-4/h1-3H
InChI Key:	LUJBEFQVVXDCPL-UHFFFAOYSA-N
Boiling Point:	218.5 °C at 760 mmHg
Density:	1.778 g/cm³
LogP:	1.79570

Publication Number	Title	Priority Date
WO-2021139756-A1	Tricyclic tetrahydroisoquinoline derivative, preparation method therefor and application thereof in medicine	20200110
US-2021024495-A1	Novel pyridazines	20190722
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Carbonyl Compounds

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[1018141-88-2]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.93820
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.93820
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4