4-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine
Basic information
- CAS
5044-29-1- Standard SMILES
Cc1ccc(C)n1-c1ccncc1- InChIKey
JSXRQETUPRRBJE-UHFFFAOYSA-N- Molecular formula
- C11H12N2
- Average molar mass
- 172.23 g/mol
- Monoisotopic mass
- 172.10004839
Names & identifiers
- Preferred name
- 4-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine
- IUPAC
- 4-(2,5-dimethylpyrrol-1-yl)pyridine
Names & synonyms
4-(2,5-dimethyl-1H-pyrrol-1-yl)pyridine5044-29-14-(2,5-dimethylpyrrol-1-yl)pyridineSTK2049954-(2,5-Dimethyl-pyrrol-1-yl)-pyridineMLS000077053CHEMBL1584116SCHEMBL17172443DTXSID80349404HMS2180M08MFCD03001427AKOS000323409
Show more names
SB63333SMR000012541EU-0046172F51012AN-970/40920431F528886SR-01000500946SR-01000500946-1
Database identifiers
- CAS
5044-29-1- PubChem CID
- 645253
- DTXSID
DTXSID80349404- ChEMBL
CHEMBL1584116
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
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Compound notes
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