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2-(2-Nitrophenyl)pyridine

HCID 231602
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
4253-81-0
Standard SMILES
O=[N+]([O-])c1ccccc1-c1ccccn1
InChIKey
VCWYADDAXFOQMH-UHFFFAOYSA-N
Molecular formula
C11H8N2O2
Average molar mass
200.19 g/mol
Monoisotopic mass
200.0585775

Names & identifiers

Preferred name
2-(2-Nitrophenyl)pyridine
IUPAC
2-(2-nitrophenyl)pyridine
English name
2-(2-Nitrophenyl)pyridine
Molecular formula
C11H8N2O2
Molecular weight
200.19

Names & synonyms

2-(2-nitrophenyl)pyridine4253-81-0pyridine, 2-(2-nitrophenyl)-RefChem:84111InChI=1/C11H8N2O2/c14-13(15)11-7-2-1-5-9(11)10-6-3-4-8-12-10/h1-8MFCD00956747ortho-(2-pyridyl)nitrobenzeneSCHEMBL444702SCHEMBL6190787SCHEMBL8968988VCWYADDAXFOQMH-UHFFFAOYSA-NDTXSID501311972
Show more names
AKOS022190279DS-9313SY121434CS-0315987C75140F721590

Database identifiers

CAS
4253-81-0
PubChem CID
231602
DTXSID
DTXSID501311972
Nikkaji
J2.811.175D

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
Formal charge
0
Complexity
227

Physicochemical properties

storage temp.
Inert atmosphere,Room Temperature
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Bromopyridine2-Nitrophenylboronic acid1-Bromo-2-nitrobenzenePalladium (II) AcetateEthanolN,N-DimethylformamideWaterPotassium carbonateTriphenylphosphine

Related reactions

5 records
New reaction record
HRID 803052 reaction equation
HRID 803052As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1006389 reaction equation
HRID 1006389As productuspto-grants-2004_09
HRID 1006390 reaction equation
HRID 1006390As reactantuspto-grants-2004_09
HRID 1816285 reaction equation
HRID 1816285As productuspto-grants-2005_04
HRID 2135016 reaction equation
HRID 2135016As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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