3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline

C14H14FN3O — CID 89043701

IUPAC3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
SMILESCN1CCc2ccnc(Oc3ccc(N)cc3F)c21
InChIInChI=1S/C14H14FN3O/c1-18-7-5-9-4-6-17-14(13(9)18)19-12-3-2-10(16)8-11(12)15/h2-4,6,8H,5,7,16H2,1H3
InChIKeyLUSZBYQZUHLWQE-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.59
Rot. Bonds2

About 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline

3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline (PubChem CID 89043701) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
PubChem CID89043701
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
SMILESCN1CCc2ccnc(Oc3ccc(N)cc3F)c21
InChIInChI=1S/C14H14FN3O/c1-18-7-5-9-4-6-17-14(13(9)18)19-12-3-2-10(16)8-11(12)15/h2-4,6,8H,5,7,16H2,1H3
InChIKeyLUSZBYQZUHLWQE-UHFFFAOYSA-N
XLogP2.59
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline?
The IUPAC name of 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline (CID 89043701) is 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline.
What is the SMILES notation for 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline?
The canonical SMILES for 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline is CN1CCc2ccnc(Oc3ccc(N)cc3F)c21.
What is the InChIKey of 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline?
The InChIKey is LUSZBYQZUHLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-18-7-5-9-4-6-17-14(13(9)18)19-12-3-2-10(16)8-11(12)15/h2-4,6,8H,5,7,16H2,1H3.
What are the key properties of 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline?
3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline has a molecular weight of 259.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline is sourced from PubChem (CID 89043701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).