2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol

C21H17ClN2O2 — CID 90435460

IUPAC2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol
SMILESOCCOc1cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C21H17ClN2O2/c22-17-12-18-19(13-20(23-18)26-11-10-25)24-21(17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13,23,25H,10-11H2
InChIKeyPMCOZAYIAMCMRE-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.92
Rot. Bonds5

About 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol

2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol (PubChem CID 90435460) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol
PubChem CID90435460
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol
SMILESOCCOc1cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2[nH]1
InChIInChI=1S/C21H17ClN2O2/c22-17-12-18-19(13-20(23-18)26-11-10-25)24-21(17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13,23,25H,10-11H2
InChIKeyPMCOZAYIAMCMRE-UHFFFAOYSA-N
XLogP4.92
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol?
The IUPAC name of 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol (CID 90435460) is 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol.
What is the SMILES notation for 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol?
The canonical SMILES for 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol is OCCOc1cc2nc(-c3ccc(-c4ccccc4)cc3)c(Cl)cc2[nH]1.
What is the InChIKey of 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol?
The InChIKey is PMCOZAYIAMCMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-17-12-18-19(13-20(23-18)26-11-10-25)24-21(17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,12-13,23,25H,10-11H2.
What are the key properties of 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol?
2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol has a molecular weight of 364.83 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol is sourced from PubChem (CID 90435460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).