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146580-38-3 molecular structure
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6-amino-5-nitropyridine-3-carbaldehyde

ChemBase ID: 801787
Molecular Formular: C6H5N3O3
Molecular Mass: 167.1222
Monoisotopic Mass: 167.03309104
SMILES and InChIs

SMILES:
n1cc(cc(c1N)[N+](=O)[O-])C=O
Canonical SMILES:
O=Cc1cnc(c(c1)[N+](=O)[O-])N
InChI:
InChI=1S/C6H5N3O3/c7-6-5(9(11)12)1-4(3-10)2-8-6/h1-3H,(H2,7,8)
InChIKey:
SLQBQRKOHVRHIO-UHFFFAOYSA-N

Cite this record

CBID:801787 http://www.chembase.cn/molecule-801787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-amino-5-nitropyridine-3-carbaldehyde
IUPAC Traditional name
6-amino-5-nitropyridine-3-carbaldehyde
Synonyms
6-AMINO-5-NITRO-3-PYRIDINECARBOXALDEHYDE
CAS Number
146580-38-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O18157 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O18157 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.252734  H Acceptors
H Donor LogD (pH = 5.5) 0.823582 
LogD (pH = 7.4) 0.82359135  Log P 0.8235915 
Molar Refractivity 41.8195 cm3 Polarizability 14.491373 Å3
Polar Surface Area 99.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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