Basic information
- Standard SMILES
CCOC(=O)N(Cc1ccc(C)nc1)c1cc(Br)nc(Br)c1[N+](=O)[O-]- InChIKey
CPGWYUDAERZMHM-UHFFFAOYSA-N- Molecular formula
- C15H14Br2N4O4
- Average molar mass
- 474.1 g/mol
- Monoisotopic mass
- 471.93818
Names & identifiers
- Preferred name
- (2,6-Dibromo-3-nitro-pyridin-4-yl)-(6-methyl-pyridin-3-ylmethyl)-carbamic acid ethyl ester
- IUPAC
- ethyl N-(2,6-dibromo-3-nitro-4-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]carbamate
Names & synonyms
SCHEMBL2572283CPGWYUDAERZMHM-UHFFFAOYSA-N(2,6-Dibromo-3-nitro-pyridin-4-yl)-(6-methyl-pyridin-3-ylmethyl)-carbamic acid ethyl ester
Database identifiers
- PubChem CID
- 86614482
- Nikkaji
- J3.014.475I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
2 records
Compound notes
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