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933988-22-8 molecular structure
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2-(pyridin-2-yl)pyrimidine-5-carboxylic acid

ChemBase ID: 307914
Molecular Formular: C10H7N3O2
Molecular Mass: 201.18148
Monoisotopic Mass: 201.05382648
SMILES and InChIs

SMILES:
c1(ncc(C(=O)O)cn1)c1ncccc1
Canonical SMILES:
OC(=O)c1cnc(nc1)c1ccccn1
InChI:
InChI=1S/C10H7N3O2/c14-10(15)7-5-12-9(13-6-7)8-3-1-2-4-11-8/h1-6H,(H,14,15)
InChIKey:
PGHKQASEGLDCRU-UHFFFAOYSA-N

Cite this record

CBID:307914 http://www.chembase.cn/molecule-307914.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-2-yl)pyrimidine-5-carboxylic acid
IUPAC Traditional name
2-(pyridin-2-yl)pyrimidine-5-carboxylic acid
Synonyms
2-pyridin-2-ylpyrimidine-5-carboxylic acid
CAS Number
933988-22-8
MDL Number
MFCD09863210

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) -0.5639508  LogD (pH = 7.4) -2.162973 
Log P 1.1235112  Molar Refractivity 62.8607 cm3
Polarizability 20.27351 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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