7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine

C18H19FN2O — CID 67142055

IUPAC7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOCCn1c(C)c(C)c2ccnc(-c3ccc(F)cc3)c21
InChIInChI=1S/C18H19FN2O/c1-12-13(2)21(10-11-22-3)18-16(12)8-9-20-17(18)14-4-6-15(19)7-5-14/h4-9H,10-11H2,1-3H3
InChIKeyYWNOOWKFEBFCAR-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.11
Rot. Bonds4

About 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine

7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 67142055) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID67142055
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCOCCn1c(C)c(C)c2ccnc(-c3ccc(F)cc3)c21
InChIInChI=1S/C18H19FN2O/c1-12-13(2)21(10-11-22-3)18-16(12)8-9-20-17(18)14-4-6-15(19)7-5-14/h4-9H,10-11H2,1-3H3
InChIKeyYWNOOWKFEBFCAR-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 67142055) is 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine is COCCn1c(C)c(C)c2ccnc(-c3ccc(F)cc3)c21.
What is the InChIKey of 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is YWNOOWKFEBFCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-12-13(2)21(10-11-22-3)18-16(12)8-9-20-17(18)14-4-6-15(19)7-5-14/h4-9H,10-11H2,1-3H3.
What are the key properties of 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine?
7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 298.36 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-1-(2-methoxyethyl)-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67142055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).