Basic information
- CAS
57803-52-8- Standard SMILES
CN(N)C(=O)c1cc(Cl)nc(Cl)c1- InChIKey
LBIXEEKFDDQZKB-UHFFFAOYSA-N- Molecular formula
- C7H7Cl2N3O
- Average molar mass
- 220.05 g/mol
- Monoisotopic mass
- 218.9966172
Names & identifiers
- Preferred name
- Isonicotinic acid, 2,6-dichloro-, 1-methylhydrazide
- IUPAC
- 2,6-dichloro-N-methylpyridine-4-carbohydrazide
- English name
- N-Methyl-2,6-dichloroisonicotinic hydrazide
- Molecular formula
- C7H7Cl2N3O
- Molecular weight
- 220.06
Names & synonyms
57803-52-82,6-Dichloroisonicotinic acid 1-methylhydrazideBRN 0394506ISONICOTINIC ACID, 2,6-DICHLORO-, 1-METHYLHYDRAZIDE1-Methylhydrazide of 2,6-dichloroisonicotinic acidDTXSID70206512RefChem:349673DTXCID001290032,6-dichloro-N-methylpyridine-4-carbohydrazideN-Methyl-2,6-dichloroisonicotinic hydrazideDB-2216544-Pyridinecarboxylic acid, 2,6-dichloro-, 1-methylhydrazide
Database identifiers
- CAS
57803-52-8- PubChem CID
- 42564
- DTXSID
DTXSID70206512- Nikkaji
- J68.651D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 192
Physicochemical properties
- Boiling point
- 386.4 · 386.4±52.0 °C(Predicted)
- Density
- 1.476 · 1.476±0.06 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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