Basic information
- CAS
59823-60-8- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)nc1- InChIKey
HMOWXOYTKJAOBG-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O4
- Average molar mass
- 358.8 g/mol
- Monoisotopic mass
- 358.0720347
Names & identifiers
- Preferred name
- 1H-Indole-3-acetic acid, 1-((6-chloro-3-pyridinyl)carbonyl)-5-methoxy-2-methyl-
- IUPAC
- 2-[1-(6-chloropyridine-3-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Names & synonyms
59823-60-81H-INDOLE-3-ACETIC ACID, 1-((6-CHLORO-3-PYRIDINYL)CARBONYL)-5-METHOXY-2-METHYL-2-(1-(6-Chloronicotinoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acidBRN 04495491-(6-Chloronicotinoyl)-5-methoxy-2-methyl-3-indoleacetic acid1-((6-Chloro-3-pyridinyl)carbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acidKwas 1-(6-chloronikotynoilo)-5-metoksy-2-metylo-3-indolilooctowy [Polish]SCHEMBL2010468DTXSID10208555Kwas 1-(6-chloronikotynoilo)-5-metoksy-2-metylo-3-indolilooctowy[1-(6-Chloropyridine-3-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
Database identifiers
- CAS
59823-60-8- PubChem CID
- 43089
- DTXSID
DTXSID10208555
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 517
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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