5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C18H18ClFN2O3 — CID 58086050

IUPAC5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1cc(F)c(Cc2c[nH]c3ncc(Cl)cc23)cc1OC
InChIInChI=1S/C18H18ClFN2O3/c1-23-3-4-25-17-8-15(20)11(6-16(17)24-2)5-12-9-21-18-14(12)7-13(19)10-22-18/h6-10H,3-5H2,1-2H3,(H,21,22)
InChIKeyMGAIXIKWRJCZIR-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.98
Rot. Bonds7

About 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086050) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086050
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1cc(F)c(Cc2c[nH]c3ncc(Cl)cc23)cc1OC
InChIInChI=1S/C18H18ClFN2O3/c1-23-3-4-25-17-8-15(20)11(6-16(17)24-2)5-12-9-21-18-14(12)7-13(19)10-22-18/h6-10H,3-5H2,1-2H3,(H,21,22)
InChIKeyMGAIXIKWRJCZIR-UHFFFAOYSA-N
XLogP3.98
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086050) is 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is COCCOc1cc(F)c(Cc2c[nH]c3ncc(Cl)cc23)cc1OC.
What is the InChIKey of 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is MGAIXIKWRJCZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c1-23-3-4-25-17-8-15(20)11(6-16(17)24-2)5-12-9-21-18-14(12)7-13(19)10-22-18/h6-10H,3-5H2,1-2H3,(H,21,22).
What are the key properties of 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 364.80 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-fluoro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).