5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C17H15Cl2FN2O2 — CID 24953787

IUPAC5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccc(F)c(Cc2c[nH]c3ncc(Cl)cc23)c1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-23-4-5-24-15-3-2-14(20)13(16(15)19)6-10-8-21-17-12(10)7-11(18)9-22-17/h2-3,7-9H,4-6H2,1H3,(H,21,22)
InChIKeyPLRCDYMHJWBYMC-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.62
Rot. Bonds6

About 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24953787) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID24953787
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC Name5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOCCOc1ccc(F)c(Cc2c[nH]c3ncc(Cl)cc23)c1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-23-4-5-24-15-3-2-14(20)13(16(15)19)6-10-8-21-17-12(10)7-11(18)9-22-17/h2-3,7-9H,4-6H2,1H3,(H,21,22)
InChIKeyPLRCDYMHJWBYMC-UHFFFAOYSA-N
XLogP4.62
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 24953787) is 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is COCCOc1ccc(F)c(Cc2c[nH]c3ncc(Cl)cc23)c1Cl.
What is the InChIKey of 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PLRCDYMHJWBYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-23-4-5-24-15-3-2-14(20)13(16(15)19)6-10-8-21-17-12(10)7-11(18)9-22-17/h2-3,7-9H,4-6H2,1H3,(H,21,22).
What are the key properties of 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 369.22 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-chloro-6-fluoro-3-(2-methoxyethoxy)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24953787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).