Compound EN300-253956

CAT: 0931-TPL0432-01Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0931-TPL0432-01Size:200 mg

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CAS Number

913181-73-4

Bioactivity

Compound EN300-253956, with CAS No. 913181-73-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound EN300-253956 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

Cl.OC(=O)c1cc2cccnc2[nH]1

Molecular Formula

C8H7ClN2O2

Molecular Weight

198.606

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid hydrochloride

CAS Number	913181-73-4
PubChem CID	57445357
IUPAC Name	1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid;hydrochloride
Molecular Formula	C8H7ClN2O2
Molecular Weight	198.60
Topological Polar Surface Area	66
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	195

SMILES

C1=CC2=C(NC(=C2)C(=O)O)N=C1.Cl

InChI

InChI=1S/C8H6N2O2.ClH/c11-8(12)6-4-5-2-1-3-9-7(5)10-6;/h1-4H,(H,9,10)(H,11,12);1H

InChIKey

XJSYPYNMJNYOLJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 913181-73-4

CID: 57445357

Formula: C8H7ClN2O2

MW: 198.60

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	198.60
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	198.0196052
Monoisotopic Mass	198.0196052
Topological Polar Surface Area	66 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	195
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	2
Compound Is Canonicalized	Yes

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TPL0524-01	Compound EN300-129161
TPL0512-01	Compound EN300-96594

Alternative Products

Catalog	Name
GTR19280022-01	Compound EN300-88285
GTR19280020-01	Compound EN300-06260
GTR19280017-01	Compound EN300-24646
GTR19280015-01	Compound EN300-62851
GTR19270227-01	Compound EN300-24520
GTR19270223-01	Compound EN300-113927
GTR19270222-01	Compound EN300-219925
GTR19270221-01	Compound EN300-365455
GTR19280023-01	Compound EN300-121824
GTR19280021-01	Compound EN300-39974

Compound EN300-253956

Chemical Information

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