3-Bromo-5-chloro-2-methoxypyridine - CAS 102830-75-1

Catalog:	BB000954
Product Name:	3-Bromo-5-chloro-2-methoxypyridine
CAS:	102830-75-1
Synonyms:	3-bromo-5-chloro-2-methoxypyridine; 3-bromo-5-chloro-2-methoxypyridine

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-chloro-2-methoxypyridine
Description:	3-Bromo-5-chloro-2-methoxypyridine (CAS# 102830-75-1) is a useful research chemical.
Molecular Weight:	222.47
Molecular Formula:	C6H5BrClNO
Canonical SMILES:	COC1=C(C=C(C=N1)Cl)Br
InChI:	InChI=1S/C6H5BrClNO/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,1H3
InChI Key:	AYEVELLBDURPJW-UHFFFAOYSA-N
Boiling Point:	215.8 °C at 760 mmHg
Density:	1.65 g/cm³
Appearance:	Solid
MDL:	MFCD08059322
LogP:	2.50610

Publication Number	Title	Priority Date
US-2020157076-A1	Acly inhibitors and uses thereof	20181116
WO-2020102616-A1	Acly inhibitors and uses thereof	20181116
WO-2019020657-A1	PYRIDINE-3-SULFONAMIDE COMPOUNDS AS PI3-KINASE INHIBITORS	20170727
BR-112019012782-A2	COMPOUND, PHARMACEUTICAL COMPOSITION, TNAP INHIBITOR, USE OF A COMPOUND, AND, METHOD FOR TREATING OR PROPHYLAXIS OF A DISEASE OR CONDITION AND TO INHIBIT TNAP IN AN INDIVIDUAL.	20161223
CA-3045492-A1	Sulfonamide compounds having tnap inhibitory activity	20161223

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.92430
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.92430
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5