1H-Indole-3-acetic acid, 1-((4-chloro-2-pyridinyl)carbonyl)-5-methoxy-2-methyl-
Basic information
- CAS
59823-61-9- Standard SMILES
COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cc(Cl)ccn1- InChIKey
CBIDMJAXHRNQDR-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-((4-chloro-2-pyridinyl)carbonyl)-5-methoxy-2-methyl-
- IUPAC
- 2-[1-(4-chloropyridine-2-carbonyl)-5-methoxy-2-methylindol-3-yl]acetic acid
Names & synonyms
59823-61-91H-INDOLE-3-ACETIC ACID, 1-((4-CHLORO-2-PYRIDINYL)CARBONYL)-5-METHOXY-2-METHYL-2-(1-(4-Chloropicolinoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acidBRN 04495481-(4-Chloronicotinoyl)-5-methoxy-2-methyl-3-indoleacetic acid1-((4-Chloro-2-pyridinyl)carbonyl)-5-methoxy-2-methyl-1H-indole-3-acetic acidKwas 1-(4-chloronikotynoilo)-5-metoksy-2-metylo-3-indolilooctowy [Polish]DTXSID70208556Kwas 1-(4-chloronikotynoilo)-5-metoksy-2-metylo-3-indolilooctowy[1-(4-Chloropyridine-2-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
Database identifiers
- CAS
59823-61-9- PubChem CID
- 43090
- DTXSID
DTXSID70208556
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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