6-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
Basic information
- CAS
775313-86-5- Standard SMILES
O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)nc1- InChIKey
XRLDSEMYIMAQFH-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O
- Average molar mass
- 272.73 g/mol
- Monoisotopic mass
- 272.0716407
Names & identifiers
- Preferred name
- 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
- IUPAC
- 6-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
Names & synonyms
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide775313-86-5MLS000517404CHEMBL1337395DTXSID401329748HMS1720P14HMS2684G22AKOS000159454SMR000343436EN300-16058036Z29352832
Database identifiers
- CAS
775313-86-5- PubChem CID
- 2117262
- DTXSID
DTXSID401329748- ChEMBL
CHEMBL1337395
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Solubility7.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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