2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine

C21H17FN2O2 — CID 141317979

IUPAC2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine
SMILESCOc1cc2cc(Oc3cc(F)ccc3C)n(-c3ccccc3)c2cn1
InChIInChI=1S/C21H17FN2O2/c1-14-8-9-16(22)12-19(14)26-21-11-15-10-20(25-2)23-13-18(15)24(21)17-6-4-3-5-7-17/h3-13H,1-2H3
InChIKeyOBJHXNYZGKCLJT-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.27
Rot. Bonds4

About 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine

2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine (PubChem CID 141317979) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine
PubChem CID141317979
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine
SMILESCOc1cc2cc(Oc3cc(F)ccc3C)n(-c3ccccc3)c2cn1
InChIInChI=1S/C21H17FN2O2/c1-14-8-9-16(22)12-19(14)26-21-11-15-10-20(25-2)23-13-18(15)24(21)17-6-4-3-5-7-17/h3-13H,1-2H3
InChIKeyOBJHXNYZGKCLJT-UHFFFAOYSA-N
XLogP5.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine (CID 141317979) is 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine is COc1cc2cc(Oc3cc(F)ccc3C)n(-c3ccccc3)c2cn1.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine?
The InChIKey is OBJHXNYZGKCLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-8-9-16(22)12-19(14)26-21-11-15-10-20(25-2)23-13-18(15)24(21)17-6-4-3-5-7-17/h3-13H,1-2H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine?
2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine has a molecular weight of 348.38 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-5-methoxy-1-phenylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 141317979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).