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933988-20-6 molecular structure
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2-(pyridin-3-yl)pyrimidine-5-carboxylic acid

ChemBase ID: 307915
Molecular Formular: C10H7N3O2
Molecular Mass: 201.18148
Monoisotopic Mass: 201.05382648
SMILES and InChIs

SMILES:
c1(ncc(C(=O)O)cn1)c1cnccc1
Canonical SMILES:
OC(=O)c1cnc(nc1)c1cccnc1
InChI:
InChI=1S/C10H7N3O2/c14-10(15)8-5-12-9(13-6-8)7-2-1-3-11-4-7/h1-6H,(H,14,15)
InChIKey:
MORKTPRONBOIJR-UHFFFAOYSA-N

Cite this record

CBID:307915 http://www.chembase.cn/molecule-307915.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-3-yl)pyrimidine-5-carboxylic acid
IUPAC Traditional name
2-(pyridin-3-yl)pyrimidine-5-carboxylic acid
Synonyms
2-pyridin-3-ylpyrimidine-5-carboxylic acid
CAS Number
933988-20-6
MDL Number
MFCD09863214

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) -0.9248217  LogD (pH = 7.4) -2.5316658 
Log P 0.15785316  Molar Refractivity 63.2327 cm3
Polarizability 20.266956 Å3 Polar Surface Area 75.97 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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