1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine

C13H13F3N2O — CID 166636789

IUPAC1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine
SMILESCOCn1ccc2ccc(C3(C(F)(F)F)CC3)nc21
InChIInChI=1S/C13H13F3N2O/c1-19-8-18-7-4-9-2-3-10(17-11(9)18)12(5-6-12)13(14,15)16/h2-4,7H,5-6,8H2,1H3
InChIKeyGJPWQPMFAURBQA-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.23
Rot. Bonds3

About 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine

1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine (PubChem CID 166636789) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine
PubChem CID166636789
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine
SMILESCOCn1ccc2ccc(C3(C(F)(F)F)CC3)nc21
InChIInChI=1S/C13H13F3N2O/c1-19-8-18-7-4-9-2-3-10(17-11(9)18)12(5-6-12)13(14,15)16/h2-4,7H,5-6,8H2,1H3
InChIKeyGJPWQPMFAURBQA-UHFFFAOYSA-N
XLogP3.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine (CID 166636789) is 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine is COCn1ccc2ccc(C3(C(F)(F)F)CC3)nc21.
What is the InChIKey of 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine?
The InChIKey is GJPWQPMFAURBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-19-8-18-7-4-9-2-3-10(17-11(9)18)12(5-6-12)13(14,15)16/h2-4,7H,5-6,8H2,1H3.
What are the key properties of 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine?
1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine has a molecular weight of 270.25 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-6-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166636789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).