Basic information
- CAS
36757-47-8- Standard SMILES
Clc1cccc(Nc2ncccc2-c2nn[nH]n2)c1- InChIKey
AUAGJEQPBVWCJI-UHFFFAOYSA-N- Molecular formula
- C12H9ClN6
- Average molar mass
- 272.69 g/mol
- Monoisotopic mass
- 272.057722
Names & identifiers
- Preferred name
- 2-Pyridinamine, N-(3-chlorophenyl)-3-(1H-tetrazol-5-yl)-
- IUPAC
- N-(3-chlorophenyl)-3-(2H-tetrazol-5-yl)pyridin-2-amine
Names & synonyms
36757-47-82-Pyridinamine, N-(3-chlorophenyl)-3-(1H-tetrazol-5-yl)-RefChem:1064636N-(3-Chlorophenyl)-3-(1H-tetrazol-5-yl)-2-pyridinaminen-(3-chlorophenyl)-3-(2h-tetrazol-5-yl)pyridin-2-amineChloro-3' anilino-2 (tetrazolyle-5)-3 pyridine [French]DTXSID30957972Chloro-3' anilino-2 (tetrazolyle-5)-3 pyridine
Database identifiers
- CAS
36757-47-8- PubChem CID
- 215898
- DTXSID
DTXSID30957972
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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