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Methyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate

Methyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate - CAS 1235865-75-4

Catalog:	BB042573
Product Name:	Methyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate
CAS:	1235865-75-4
Synonyms:	Methyl 2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-4-fluorobenzoate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
Description:	Methyl 2-((1H-pyrrolo[2,3-b]pyridin-5-yl)oxy)-4-fluorobenzoate (CAS# 1235865-75-4 ) is a useful research chemical.
Molecular Weight:	286.26
Molecular Formula:	C15H11FN2O3
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)F)OC2=CN=C3C(=C2)C=CN3
InChI:	InChI=1S/C15H11FN2O3/c1-20-15(19)12-3-2-10(16)7-13(12)21-11-6-9-4-5-17-14(9)18-8-11/h2-8H,1H3,(H,17,18)
InChI Key:	WOXIJNIAUMZYEL-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	382
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.07537038
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	286.07537038
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8