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MFCD14581649 molecular structure
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(Z)-2-chloro-N'-hydroxy-6-phenylpyridine-3-carboximidamide

ChemBase ID: 50744
Molecular Formular: C12H10ClN3O
Molecular Mass: 247.6803
Monoisotopic Mass: 247.05123964
SMILES and InChIs

SMILES:
c1(c(nc(cc1)c1ccccc1)Cl)/C(=N/O)/N
Canonical SMILES:
O/N=C(/c1ccc(nc1Cl)c1ccccc1)\N
InChI:
InChI=1S/C12H10ClN3O/c13-11-9(12(14)16-17)6-7-10(15-11)8-4-2-1-3-5-8/h1-7,17H,(H2,14,16)
InChIKey:
YOLJFPBYHNISSM-UHFFFAOYSA-N

Cite this record

CBID:50744 http://www.chembase.cn/molecule-50744.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(Z)-2-chloro-N'-hydroxy-6-phenylpyridine-3-carboximidamide
IUPAC Traditional name
(Z)-2-chloro-N'-hydroxy-6-phenylpyridine-3-carboximidamide
Synonyms
2-Chloro-N'-hydroxy-6-phenyl-3-pyridinecarboximidamide
MDL Number
MFCD14581649
PubChem SID
162055507
PubChem CID
45588428

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45588428 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.365853  H Acceptors
H Donor LogD (pH = 5.5) 2.5292592 
LogD (pH = 7.4) 2.5296783  Log P 2.5301576 
Molar Refractivity 67.5536 cm3 Polarizability 26.699902 Å3
Polar Surface Area 71.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
182 - 183 °C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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