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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Related Compounds

3-Benzyloxy-9H-beta-carboline
CID 10335601
N-butylharmine
CID 486624
1,6-Dimethyl-3-[4-[(3-pyridin-4-yl-2-pyridinyl)oxy]phenyl]pyrrolo[3,2-b]pyridine
CID 118707965
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
4-(5-fluoro-2-methoxyphenyl)-2,4-dimethyl-1-(1H-pyrrolo[2,3-c]pyridin-2-yl)pentan-2-ol
CID 11382721
2-((1H-pyrrolo[3,2-b]pyridin-1-yl)methyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 11384310
5-(5-fluoro-2-methoxyphenyl)-2,2,5-trimethyl-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)hexan-3-ol
CID 11516847
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-(2-methylpropyl)pyrrolo[2,3-c]pyridine
CID 11558912
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-propylpyrrolo[2,3-c]pyridine
CID 11616595
7-[(4-Fluorophenyl)methoxy]-2,3-dimethyl-1-prop-2-enylpyrrolo[2,3-c]pyridine
CID 11659585
1-(1,3-Dioxolan-2-ylmethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 11660401
5-(5-fluoro-2-methoxyphenyl)-5-methyl-3-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)hexan-3-ol
CID 11696378

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).