Home > Compound List > Compound details
101601-80-3 molecular structure
click picture or here to close

2-phenylpyridin-3-amine

ChemBase ID: 87913
Molecular Formular: C11H10N2
Molecular Mass: 170.2105
Monoisotopic Mass: 170.08439833
SMILES and InChIs

SMILES:
n1c(c(ccc1)N)c1ccccc1
Canonical SMILES:
Nc1cccnc1c1ccccc1
InChI:
InChI=1S/C11H10N2/c12-10-7-4-8-13-11(10)9-5-2-1-3-6-9/h1-8H,12H2
InChIKey:
XTHJCITVHCRQRD-UHFFFAOYSA-N

Cite this record

CBID:87913 http://www.chembase.cn/molecule-87913.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-phenylpyridin-3-amine
IUPAC Traditional name
2-phenylpyridin-3-amine
Synonyms
2-Phenylpyridin-3-amine
(3-Aminopyridin-2-yl)benzene
3-Amino-2-phenylpyridine
CAS Number
101601-80-3
MDL Number
MFCD04114113
PubChem SID
162074953
PubChem CID
2762784

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2762784 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.8402177  LogD (pH = 7.4) 1.9579747 
Log P 1.9597231  Molar Refractivity 53.3657 cm3
Polarizability 21.62622 Å3 Polar Surface Area 38.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
62-64°C expand Show data source
Storage Warning
Irritant/Store under Argon expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle