Ethyl 3-(3-nitrophenyl)pyridine-4-carboxylate

HCID 11637610

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Basic information

CAS: 252921-32-7
Standard SMILES: CCOC(=O)c1ccncc1-c1cccc([N+](=O)[O-])c1
InChIKey: JHRPBJPYOUEUBO-UHFFFAOYSA-N
Molecular formula: C14H12N2O4
Average molar mass: 272.26 g/mol
Monoisotopic mass: 272.07970687

Names & identifiers

Preferred name: Ethyl 3-(3-nitrophenyl)pyridine-4-carboxylate
IUPAC: ethyl 3-(3-nitrophenyl)pyridine-4-carboxylate
English name: 3-(3-Nitrophenyl)-4-pyridinecarboxylicacidethylester
Molecular formula: C14H12N2O4
Molecular weight: 272.26

Names & synonyms

252921-32-7Ethyl 3-(3-nitrophenyl)pyridine-4-carboxylate3-(3-NITROPHENYL)-4-PYRIDINECARBOXYLIC ACID ETHYL ESTERSCHEMBL6437170DTXSID80469838JHRPBJPYOUEUBO-UHFFFAOYSA-N5-(3-nitrophenyl)-4-pyridinecarboxyiic acid ethyl ester4-Pyridinecarboxylic acid, 3-(3-nitrophenyl)-, ethyl ester

Database identifiers

CAS: 252921-32-7
PubChem CID: 11637610
DTXSID: DTXSID80469838

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 85 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 356

Chemistry & industry

Upstream & downstream products

Downstream products

3-(3-Aminophenyl)-4-pyridinecarboxylicacidethylester

Suppliers1 total

Service Chemical Inc.[email protected]

Related reactions

1 records

New reaction record

HRID 1069079As reactantuspto-grants-2001_06

Compound notes

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