8-bromo-1,6-naphthyridine-2-carboxylic acid - CAS 197507-55-4

Catalog:	BB015258
Product Name:	8-bromo-1,6-naphthyridine-2-carboxylic acid
CAS:	197507-55-4
Synonyms:	8-bromo-1,6-naphthyridine-2-carboxylic acid; 8-bromo-1,6-naphthyridine-2-carboxylic acid

Technical Data

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Computed Properties

Description:	8-bromo-1,6-naphthyridine-2-carboxylic acid (CAS# 197507-55-4) is a useful research chemical.
Molecular Weight:	253.055
Molecular Formula:	C9H5BrN2O2
Canonical SMILES:	C1=CC(=NC2=C(C=NC=C21)Br)C(=O)O
InChI:	InChI=1S/C9H5BrN2O2/c10-6-4-11-3-5-1-2-7(9(13)14)12-8(5)6/h1-4H,(H,13,14)
InChI Key:	ISJKXVUODLFGIU-UHFFFAOYSA-N
Boiling Point:	421.8 °C at 760 mmHg
Density:	1.824 g/cm³
MDL:	MFCD04037919
LogP:	2.09050

Publication Number	Title	Priority Date
AU-2016217874-A1	Substituted mono- and polyazanaphthalene derivatives and their use	20150211
CA-2974874-A1	Substituted mono- and polyazanaphthalene derivatives and their use	20150211
EP-3256217-A1	Substituted mono- and polyazanaphthalene derivatives and their use	20150211
JP-2018505207-A	Substituted mono and polyazanaphthalene derivatives and uses thereof	20150211
KR-20170117479-A	Substituted mono- and polyazanaphthalene derivatives and uses thereof	20150211

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Related Functional Groups

Naphthyridines

[64436-97-1]
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2-Methyl-1,5-naphthyridine

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	251.95344
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.95344
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7