Basic information
- CAS
333394-01-7- Standard SMILES
Cc1cc(-c2cccc(Br)c2)c(C#N)c(N)n1- InChIKey
YFWZQSPTWNGTFN-UHFFFAOYSA-N- Molecular formula
- C13H10BrN3
- Average molar mass
- 288.14 g/mol
- Monoisotopic mass
- 287.00581
Names & identifiers
- Preferred name
- 2-Amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
- IUPAC
- 2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile
- English name
- 2-amino-4-(3-bromophenyl)-6-methylnicotinonitrile
- Molecular formula
- C13H10BrN3
- Molecular weight
- 288.14
Names & synonyms
2-amino-4-(3-bromophenyl)-6-methylpyridine-3-carbonitrile333394-01-7Cambridge id 5581914MLS000765993CHEMBL1373906DTXSID701327496HMS2665O18STK831963AKOS000617137CCG-108295SMR000279699EU-0007342
Show more names
3-Pyridinecarbonitrile, 2-amino-4-(3-bromophenyl)-6-methyl-
ST50992962SR-010004550332-amino-4-(3-bromophenyl)-6-methylnicotinonitrileSR-01000455033-1
Database identifiers
- CAS
333394-01-7- PubChem CID
- 711468
- DTXSID
DTXSID701327496- ChEMBL
CHEMBL1373906
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Experimental & physicochemical properties
Solubility3.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 448.1 · 448.1±45.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.50(Predicted)
Chemistry & industry
Suppliers2 total
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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