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Compound 872619-43-7

CAT: 0931-TPL0299-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0299-01Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872619-43-7
Purity
0.9828
Bioactivity
Compound 872619-43-7, with CAS No. 872619-43-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 872619-43-7 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
COC(=O)c1c[nH]c2ncc(Br)cc12
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.071
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

methyl 5-bromo-1H-pyrrolo(2,3-b)pyridine-3-carboxylate
CAS Number872619-43-7
PubChem CID16202927
IUPAC Namemethyl 5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07
XLogP1.9
Topological Polar Surface Area55
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity237
SMILES
COC(=O)C1=CNC2=C1C=C(C=N2)Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)7-4-12-8-6(7)2-5(10)3-11-8/h2-4H,1H3,(H,11,12)
InChIKey
QFENDXLPFBGAIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 5-bromo-1H-pyrrolo(2,3-b)pyridine-3-carboxylate
CAS: 872619-43-7
CID: 16202927
Formula: C9H7BrN2O2
MW: 255.07
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight255.07
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass253.96909
Monoisotopic Mass253.96909
Topological Polar Surface Area55 Ų
Heavy Atom Count14
Formal Charge0
Complexity237
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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