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10354-53-7 molecular structure
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N-phenylpyridine-2-carboxamide

ChemBase ID: 176720
Molecular Formular: C12H10N2O
Molecular Mass: 198.2206
Monoisotopic Mass: 198.07931295
SMILES and InChIs

SMILES:
c1ccnc(c1)C(=O)Nc1ccccc1
Canonical SMILES:
O=C(c1ccccn1)Nc1ccccc1
InChI:
InChI=1S/C12H10N2O/c15-12(11-8-4-5-9-13-11)14-10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKey:
GVBHRBMWXDCRHZ-UHFFFAOYSA-N

Cite this record

CBID:176720 http://www.chembase.cn/molecule-176720.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-phenylpyridine-2-carboxamide
IUPAC Traditional name
N-phenylpyridine-2-carboxamide
Synonyms
Picolinanilide
N-Phenyl-2-pyridinecarboxamide
N-(2-Pyridyl)carbonylaniline
N-Phenylpicolinamide
Picolinic Anilide
CAS Number
10354-53-7
PubChem SID
164232630
PubChem CID
7020657

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC P437500 external link Add to cart
PubChem 7020657 external link
Data Source Data ID Price
TRC
P437500 external link Add to cart Please log in.
Data Source Data ID
PubChem 7020657 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.206569  H Acceptors
H Donor LogD (pH = 5.5) 2.2333035 
LogD (pH = 7.4) 2.233244  Log P 2.2333086 
Molar Refractivity 59.0626 cm3 Polarizability 22.04587 Å3
Polar Surface Area 41.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Benzene expand Show data source
Dichloromethane expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Apperance
Light Beige Solid expand Show data source
Melting Point
74-75°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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