5-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile
Basic information
- CAS
66999-73-3- Standard SMILES
N#Cc1nnc2cccc(Cl)n12- InChIKey
QHGGDWLGGKBIAK-UHFFFAOYSA-N- Molecular formula
- C7H3ClN4
- Average molar mass
- 178.58 g/mol
- Monoisotopic mass
- 178.0046238
Names & identifiers
- Preferred name
- 5-Chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile
- IUPAC
- 5-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile
Names & synonyms
5-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile66999-73-3NSC289816DTXSID70314924NSC-2898165-Chloro[1,2,4]triazolo[4,3-a]pyridine-3-carbonitrile
Database identifiers
- CAS
66999-73-3- PubChem CID
- 324448
- DTXSID
DTXSID70314924
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 223
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Compound notes
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