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1000340-80-6 molecular structure
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6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine

ChemBase ID: 64557
Molecular Formular: C7H6ClN3
Molecular Mass: 167.59564
Monoisotopic Mass: 167.02502489
SMILES and InChIs

SMILES:
c12c(c(cc(n1)Cl)N)cc[nH]2
Canonical SMILES:
Clc1cc(N)c2c(n1)[nH]cc2
InChI:
InChI=1S/C7H6ClN3/c8-6-3-5(9)4-1-2-10-7(4)11-6/h1-3H,(H3,9,10,11)
InChIKey:
IKFOABTXBHOTPL-UHFFFAOYSA-N

Cite this record

CBID:64557 http://www.chembase.cn/molecule-64557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine
IUPAC Traditional name
6-chloro-1H-pyrrolo[2,3-b]pyridin-4-amine
Synonyms
6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine
4-Amino-6-chloro-7-azaindole
4-Amino-6-chloro-1H-pyrrolo[2,3-b]pyridine
6-Chloro-1H-pyrrolo[2,3-b]pyridin-4-amine
CAS Number
1000340-80-6
MDL Number
MFCD09880161
PubChem SID
162030296
PubChem CID
24729597

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.671488  H Acceptors
H Donor LogD (pH = 5.5) 1.1849108 
LogD (pH = 7.4) 1.2166721  Log P 1.2170933 
Molar Refractivity 45.5067 cm3 Polarizability 17.043287 Å3
Polar Surface Area 54.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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