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1010422-24-8 molecular structure
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5-bromo-N-cyclopropyl-3-nitropyridin-2-amine

ChemBase ID: 309824
Molecular Formular: C8H8BrN3O2
Molecular Mass: 258.07202
Monoisotopic Mass: 256.97998851
SMILES and InChIs

SMILES:
c1([N+](=O)[O-])c(ncc(c1)Br)NC1CC1
Canonical SMILES:
Brc1cnc(c(c1)[N+](=O)[O-])NC1CC1
InChI:
InChI=1S/C8H8BrN3O2/c9-5-3-7(12(13)14)8(10-4-5)11-6-1-2-6/h3-4,6H,1-2H2,(H,10,11)
InChIKey:
PGANNHCGNMGTFO-UHFFFAOYSA-N

Cite this record

CBID:309824 http://www.chembase.cn/molecule-309824.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-N-cyclopropyl-3-nitropyridin-2-amine
IUPAC Traditional name
5-bromo-N-cyclopropyl-3-nitropyridin-2-amine
Synonyms
5-bromo-N-cyclopropyl-3-nitro-2-pyridinamine
CAS Number
1010422-24-8
MDL Number
MFCD08692115

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6471086  LogD (pH = 7.4) 2.6471105 
Log P 2.6471105  Molar Refractivity 55.5629 cm3
Polarizability 20.283789 Å3 Polar Surface Area 68.06 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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