2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine

C21H17FN2O — CID 91252318

IUPAC2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine
SMILESCc1cnc2cc(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
InChIInChI=1S/C21H17FN2O/c1-14-10-19-18(23-13-14)12-21(24(19)17-6-4-3-5-7-17)25-20-11-16(22)9-8-15(20)2/h3-13H,1-2H3
InChIKeyRNJWMRBXBDBJEA-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.57
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine

2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine (PubChem CID 91252318) has the molecular formula C21H17FN2O and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine
PubChem CID91252318
Molecular FormulaC21H17FN2O
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine
SMILESCc1cnc2cc(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1
InChIInChI=1S/C21H17FN2O/c1-14-10-19-18(23-13-14)12-21(24(19)17-6-4-3-5-7-17)25-20-11-16(22)9-8-15(20)2/h3-13H,1-2H3
InChIKeyRNJWMRBXBDBJEA-UHFFFAOYSA-N
XLogP5.57
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine (CID 91252318) is 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine is Cc1cnc2cc(Oc3cc(F)ccc3C)n(-c3ccccc3)c2c1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine?
The InChIKey is RNJWMRBXBDBJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O/c1-14-10-19-18(23-13-14)12-21(24(19)17-6-4-3-5-7-17)25-20-11-16(22)9-8-15(20)2/h3-13H,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine?
2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine has a molecular weight of 332.38 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-6-methyl-1-phenylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 91252318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).