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1060809-75-7 molecular structure
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6-chloro-4-nitropyridine-2-carbaldehyde

ChemBase ID: 815183
Molecular Formular: C6H3ClN2O3
Molecular Mass: 186.55262
Monoisotopic Mass: 185.98321965
SMILES and InChIs

SMILES:
c1(cc(nc(c1)C=O)Cl)[N+](=O)[O-]
Canonical SMILES:
O=Cc1nc(Cl)cc(c1)[N+](=O)[O-]
InChI:
InChI=1S/C6H3ClN2O3/c7-6-2-5(9(11)12)1-4(3-10)8-6/h1-3H
InChIKey:
NDOOMDYJPMTPOK-UHFFFAOYSA-N

Cite this record

CBID:815183 http://www.chembase.cn/molecule-815183.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-4-nitropyridine-2-carbaldehyde
IUPAC Traditional name
6-chloro-4-nitropyridine-2-carbaldehyde
Synonyms
6-chloro-4-nitropicolinaldehyde
CAS Number
1060809-75-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O37445 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O37445 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9068248  LogD (pH = 7.4) 1.9068248 
Log P 1.9068248  Molar Refractivity 42.2865 cm3
Polarizability 15.360042 Å3 Polar Surface Area 73.1 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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