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1256643-39-6 molecular structure
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2-methyl-4-phenylpyridine-3-carboxylic acid

ChemBase ID: 309637
Molecular Formular: C13H11NO2
Molecular Mass: 213.23194
Monoisotopic Mass: 213.0789786
SMILES and InChIs

SMILES:
c1(c(c2ccccc2)ccnc1C)C(=O)O
Canonical SMILES:
OC(=O)c1c(C)nccc1c1ccccc1
InChI:
InChI=1S/C13H11NO2/c1-9-12(13(15)16)11(7-8-14-9)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKey:
FSMZYQNQFJDUJI-UHFFFAOYSA-N

Cite this record

CBID:309637 http://www.chembase.cn/molecule-309637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-4-phenylpyridine-3-carboxylic acid
IUPAC Traditional name
2-methyl-4-phenylpyridine-3-carboxylic acid
Synonyms
2-methyl-4-phenylnicotinic acid
CAS Number
1256643-39-6
MDL Number
MFCD18381942

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.45055124  LogD (pH = 7.4) -0.74673414 
Log P 0.5743689  Molar Refractivity 60.885 cm3
Polarizability 24.485798 Å3 Polar Surface Area 50.19 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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