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60290-21-3 molecular structure
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4-chloro-1H-pyrrolo[3,2-c]pyridine

ChemBase ID: 23878
Molecular Formular: C7H5ClN2
Molecular Mass: 152.581
Monoisotopic Mass: 152.01412585
SMILES and InChIs

SMILES:
c1cnc(c2c1[nH]cc2)Cl
Canonical SMILES:
Clc1nccc2c1cc[nH]2
InChI:
InChI=1S/C7H5ClN2/c8-7-5-1-3-9-6(5)2-4-10-7/h1-4,9H
InChIKey:
NGRAFQOJLPCUNE-UHFFFAOYSA-N

Cite this record

CBID:23878 http://www.chembase.cn/molecule-23878.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-1H-pyrrolo[3,2-c]pyridine
IUPAC Traditional name
4-chloro-1H-pyrrolo[3,2-c]pyridine
Synonyms
4-Chloro-1H-pyrrolo[3,2-c]pyridine
4-Chloro-1H-pyrrolo[3,2-c]pyridine
4-Chloro-5-azaindole
4-Chloro-1H-pyrrolo[3,2-c]pyridine
CAS Number
60290-21-3
MDL Number
MFCD07781160
PubChem SID
160987185
PubChem CID
14114384

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.53878  H Acceptors
H Donor LogD (pH = 5.5) 1.6368123 
LogD (pH = 7.4) 1.6780038  Log P 1.6785573 
Molar Refractivity 40.8537 cm3 Polarizability 16.57923 Å3
Polar Surface Area 28.68 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Storage Warning
IRRITANT expand Show data source
Harmful/Irritant/Keep Cold expand Show data source
TSCA Listed
false expand Show data source
Empirical Formula (Hill Notation)
C7H5ClN2 expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - ADE000994 external link
Other Notes
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Legal Information
Product of Adesis

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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