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Compound FL0004

CAT: 0931-FL0004-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-FL0004-02Size:10 mg
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CAS Number
800402-07-7
Bioactivity
Compound FL0004, with CAS No. 800402-07-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0004 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
OC(=O)C1=CC2=CC=C(Cl)N=C2N1
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Chloro-1H-pyrrolo(2,3-b)pyridine-2-carboxylic acid
CAS Number800402-07-7
PubChem CID21976580
IUPAC Name6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
Molecular FormulaC8H5ClN2O2
Molecular Weight196.59
XLogP2.1
Topological Polar Surface Area66
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity224
SMILES
C1=CC(=NC2=C1C=C(N2)C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-6-2-1-4-3-5(8(12)13)10-7(4)11-6/h1-3H,(H,10,11)(H,12,13)
InChIKey
MFMDNNLHOKXYLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloro-1H-pyrrolo(2,3-b)pyridine-2-carboxylic acid
CAS: 800402-07-7
CID: 21976580
Formula: C8H5ClN2O2
MW: 196.59
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.59
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass196.0039551
Monoisotopic Mass196.0039551
Topological Polar Surface Area66 Ų
Heavy Atom Count13
Formal Charge0
Complexity224
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

Related Products

CatalogName
FL0024-01Compound FL0024
FL0040-01Compound FL0040
FL0003-01Compound FL0003
FL0044-01Compound FL0044
FL0034-01Compound FL0034
FL0014-01Compound FL0014
FL0001-01Compound FL0001
FL0006-01Compound FL0006
FL0002-01Compound FL0002
FL0072-01Compound FL0072

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