Sibiriline

CAT: 0862-GW9434-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0862-GW9434-5mgSize:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1346526-26-8

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol

CAS Number	1346526-26-8
PubChem CID	77230897
IUPAC Name	4-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenol
Molecular Formula	C13H10N2O
Molecular Weight	210.23
XLogP	2.6
Topological Polar Surface Area	48.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

C1=CC2=C(NC(=C2)C3=CC=C(C=C3)O)N=C1

InChI

InChI=1S/C13H10N2O/c16-11-5-3-9(4-6-11)12-8-10-2-1-7-14-13(10)15-12/h1-8,16H,(H,14,15)

InChIKey

XZQLYCMLGSOHOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1346526-26-8

CID: 77230897

Formula: C13H10N2O

MW: 210.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.23
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	210.079312947
Monoisotopic Mass	210.079312947
Topological Polar Surface Area	48.9 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3601395-01	Sibiriline