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4-Chloro-7-azaindole

CAT: 0572-TRC-C364500-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C364500-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55052-28-3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Clc1ccnc2[nH]ccc12
Molecular Formula
C7 H5 Cl N2
Molecular Weight
152.58
InChI
InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
Additionnal Information
IUPAC name: 4-chloro-1H-pyrrolo[2,3-b]pyridine
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Chloro-1H-pyrrolo[2,3-b]pyridine
CAS Number55052-28-3
PubChem CID11389493
IUPAC Name4-chloro-1H-pyrrolo[2,3-b]pyridine
Molecular FormulaC7H5ClN2
Molecular Weight152.58
XLogP1.9
Topological Polar Surface Area28.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity129
SMILES
C1=CNC2=NC=CC(=C21)Cl
InChI
InChI=1S/C7H5ClN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKey
HNTZVGMWXCFCTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-1H-pyrrolo[2,3-b]pyridine
CAS: 55052-28-3
CID: 11389493
Formula: C7H5ClN2
MW: 152.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.58
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass152.0141259
Monoisotopic Mass152.0141259
Topological Polar Surface Area28.7 Ų
Heavy Atom Count10
Formal Charge0
Complexity129
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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