Basic information
- CAS
61433-54-3- Standard SMILES
CCn1c(C)c(C(=O)c2cccnc2C(=O)O)c2ccccc21- InChIKey
ZVCFSCXUODRMKI-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609237
Names & identifiers
- Preferred name
- 2-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-
- IUPAC
- 3-(1-ethyl-2-methylindole-3-carbonyl)pyridine-2-carboxylic acid
- English name
- 3-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]-2-pyridinecarboxylic acid
- Molecular formula
- C18H16N2O3
- Molecular weight
- 308.33
Names & synonyms
2-Pyridinecarboxylic acid, 3-((1-ethyl-2-methyl-1H-indol-3-yl)carbonyl)-DTXSID50694692-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-RefChem:483375DTXCID704303961433-54-3SCHEMBL109013583-(1-ethyl-2-methyl-1H-indole-3-carbonyl)pyridine-2-carboxylic acidDB-3149283-[(1-ethyl-2-methyl-3-indolyl)carbonyl]-2-pyridinecarboxylic acid3-[(1-Ethyl-2-methyl-1h-indol-3-yl)carbonyl ]-2-pyridinecarboxylic acid3-[(1-Ethyl-2-methyl-1H-indol-3-yl)carbonyl]-2-pyridinecarboxylic acid
Database identifiers
- CAS
61433-54-3- PubChem CID
- 109082
- DTXSID
DTXSID5069469- Nikkaji
- J429.425D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 551.8 · 551.8±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.36(Predicted)
- EPA Substance Registry System
- 2 · 2-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]- (61433-54-3)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinecarboxylic acid, 3-[(1-ethyl-2-methyl-1H-indol-3-yl)carbonyl]-: INACTIVE
Related reactions
6 records
Compound notes
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