Home > Compound List > Compound details
328549-49-1 molecular structure
click picture or here to close

2-(4-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

ChemBase ID: 311125
Molecular Formular: C15H10N2O4
Molecular Mass: 282.2509
Monoisotopic Mass: 282.06405681
SMILES and InChIs

SMILES:
N1(C(=O)c2c(C1=O)ccc(c2)C(=O)O)c1nccc(c1)C
Canonical SMILES:
Cc1ccnc(c1)N1C(=O)c2c(C1=O)ccc(c2)C(=O)O
InChI:
InChI=1S/C15H10N2O4/c1-8-4-5-16-12(6-8)17-13(18)10-3-2-9(15(20)21)7-11(10)14(17)19/h2-7H,1H3,(H,20,21)
InChIKey:
REPCDKMKCSWYLV-UHFFFAOYSA-N

Cite this record

CBID:311125 http://www.chembase.cn/molecule-311125.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methylpyridin-2-yl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
IUPAC Traditional name
2-(4-methylpyridin-2-yl)-1,3-dioxoisoindole-5-carboxylic acid
Synonyms
2-(4-methylpyridin-2-yl)-1,3-dioxoisoindoline-5-carboxylic acid
CAS Number
328549-49-1
MDL Number
MFCD01162780

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5635368 external link Add to cart
Data Source Data ID Price
ChemBridge
5635368 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) 0.117255285  LogD (pH = 7.4) -1.256754 
Log P 1.9413334  Molar Refractivity 74.4431 cm3
Polarizability 27.35002 Å3 Polar Surface Area 87.57 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle