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874773-94-1 molecular structure
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2-methyl-4-(4-nitrophenyl)pyrimidine

ChemBase ID: 797326
Molecular Formular: C11H9N3O2
Molecular Mass: 215.20806
Monoisotopic Mass: 215.06947654
SMILES and InChIs

SMILES:
c1c(nc(nc1)C)c1ccc(cc1)[N+](=O)[O-]
Canonical SMILES:
Cc1nccc(n1)c1ccc(cc1)[N+](=O)[O-]
InChI:
InChI=1S/C11H9N3O2/c1-8-12-7-6-11(13-8)9-2-4-10(5-3-9)14(15)16/h2-7H,1H3
InChIKey:
MWOWFGCAKQCRTN-UHFFFAOYSA-N

Cite this record

CBID:797326 http://www.chembase.cn/molecule-797326.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-4-(4-nitrophenyl)pyrimidine
IUPAC Traditional name
2-methyl-4-(4-nitrophenyl)pyrimidine
Synonyms
2-Methyl-4-(4-nitrophenyl)pyriMidine
CAS Number
874773-94-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O6812 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O6812 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) 2.5537498  LogD (pH = 7.4) 2.5546713 
Log P 2.5546832  Molar Refractivity 58.4314 cm3
Polarizability 23.107517 Å3 Polar Surface Area 68.92 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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