3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline

C14H12FN3O — CID 155679210

IUPAC3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
SMILESCn1ccc2c(Oc3ccc(N)cc3F)ccnc21
InChIInChI=1S/C14H12FN3O/c1-18-7-5-10-12(4-6-17-14(10)18)19-13-3-2-9(16)8-11(13)15/h2-8H,16H2,1H3
InChIKeyWXWMZIHDEZBLBD-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.09
Rot. Bonds2

About 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline

3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline (PubChem CID 155679210) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
PubChem CID155679210
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
SMILESCn1ccc2c(Oc3ccc(N)cc3F)ccnc21
InChIInChI=1S/C14H12FN3O/c1-18-7-5-10-12(4-6-17-14(10)18)19-13-3-2-9(16)8-11(13)15/h2-8H,16H2,1H3
InChIKeyWXWMZIHDEZBLBD-UHFFFAOYSA-N
XLogP3.09
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-amino-2-fluorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methanol
CID 76850851
4-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 58195536
4-(4-amino-2-fluorophenoxy)-3-dimethylphosphorylpyridin-2-amine
CID 171509235
4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)oxy-3-fluoroaniline
CID 166545288
4-(4-amino-2-fluorophenoxy)-7-methoxyquinolin-6-ol
CID 67522286
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
3-fluoro-4-[(1-methyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-yl)oxy]aniline
CID 89043701
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
1-(4-amino-2-fluorophenoxy)isoquinolin-7-ol
CID 106540101
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
4-(4-amino-2-fluorophenoxy)-3-phenylpyridin-2-amine
CID 169150219
4-(4-amino-2-fluorophenoxy)-N-methylpyridin-2-amine
CID 67252307

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline?
The IUPAC name of 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline (CID 155679210) is 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline is Cn1ccc2c(Oc3ccc(N)cc3F)ccnc21.
What is the InChIKey of 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline?
The InChIKey is WXWMZIHDEZBLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-18-7-5-10-12(4-6-17-14(10)18)19-13-3-2-9(16)8-11(13)15/h2-8H,16H2,1H3.
What are the key properties of 3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline?
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline has a molecular weight of 257.27 g/mol, XLogP of 3.09, 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-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline is sourced from PubChem (CID 155679210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).