3-(4-Nitrophenyl)pyridine

HCID 231504

Basic information

CAS
4282-46-6
Standard SMILES
O=[N+]([O-])c1ccc(-c2cccnc2)cc1
InChIKey
DKWZMBYPPLMXQO-UHFFFAOYSA-N
Molecular formula
C11H8N2O2
Average molar mass
200.19 g/mol
Monoisotopic mass
200.0585775

Names & identifiers

Preferred name
3-(4-Nitrophenyl)pyridine
IUPAC
3-(4-nitrophenyl)pyridine
English name
3-(4-Nitrophenyl)pyridine
Molecular formula
C11H8N2O2
Molecular weight
200.19

Names & synonyms

3-(4-nitrophenyl)pyridine4282-46-6MFCD00276489Pyridine, 3-(4-nitrophenyl)-MLS0026391823-(4'-Nitrophenyl)piridineNSC27898DVZ2YMT3LA3-(p-Nitrophenyl)pyridineOprea1_132628SCHEMBL4781312SCHEMBL5069305
Show more names
CHEMBL1716247DTXSID50282753DKWZMBYPPLMXQO-UHFFFAOYSA-NHMS3079B13NSC-27898AKOS027255164SB231793-(4-Nitrophenyl)Pyridine(WX609928)

Database identifiers

CAS
4282-46-6
PubChem CID
231504
DTXSID
DTXSID50282753
ChEMBL
CHEMBL1716247
UNII
DVZ2YMT3LA
Nikkaji
J1.803.539A

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
15

Physicochemical properties

Melting point
148 · 148-149 °C
Boiling point
364.6 · 364.6±17.0 °C(Predicted)
Density
1.252 · 1.252±0.06 g/cm3(Predicted)
pka
4.09 · 4.09±0.10(Predicted)

Chemistry & industry

Suppliers26 total

浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海业立嘉实业有限公司13564383169 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
常州市宣明医药科技有限公司+86-519-85525359 +86-15995072465 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]

Related reactions

35 records

Compound notes

Loading…