2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
Basic information
- CAS
331970-55-9- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NCc1cccnc1- InChIKey
QHFWJNFGEZCMCK-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
- IUPAC
- 2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
Names & synonyms
2-methoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline331970-55-9N-(2-Methoxy-5-nitrophenyl)-3-pyridinemethanamineCBMicro_022524Cambridge id 5522416Oprea1_101694Oprea1_403052MLS000693637CHEMBL1433271DTXSID601232088HMS2660I05CCG-9687
Show more names
STK145569AKOS000554132SMR000285446BIM-0022490.P001ST45110894(2-methoxy-5-nitrophenyl)(3-pyridylmethyl)amine(2-methoxy-5-nitrophenyl)(3-pyridinylmethyl)amine2-Methoxy-5-nitro-N-[(pyridin-3-yl)methyl]aniline
Database identifiers
- CAS
331970-55-9- PubChem CID
- 792137
- DTXSID
DTXSID601232088- ChEMBL
CHEMBL1433271
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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