3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline

C19H14FN3 — CID 156503179

IUPAC3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline
SMILESNc1cc(F)cc(-c2ccc3[nH]cc(-c4ccccc4)c3n2)c1
InChIInChI=1S/C19H14FN3/c20-14-8-13(9-15(21)10-14)17-6-7-18-19(23-17)16(11-22-18)12-4-2-1-3-5-12/h1-11,22H,21H2
InChIKeyGIDACDHXUSOUHI-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.62
Rot. Bonds2

About 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline

3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline (PubChem CID 156503179) has the molecular formula C19H14FN3 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline
PubChem CID156503179
Molecular FormulaC19H14FN3
Molecular Weight303.34 g/mol
Exact Mass303.12
IUPAC Name3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline
SMILESNc1cc(F)cc(-c2ccc3[nH]cc(-c4ccccc4)c3n2)c1
InChIInChI=1S/C19H14FN3/c20-14-8-13(9-15(21)10-14)17-6-7-18-19(23-17)16(11-22-18)12-4-2-1-3-5-12/h1-11,22H,21H2
InChIKeyGIDACDHXUSOUHI-UHFFFAOYSA-N
XLogP4.62
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline?
The IUPAC name of 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline (CID 156503179) is 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline.
What is the SMILES notation for 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline?
The canonical SMILES for 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline is Nc1cc(F)cc(-c2ccc3[nH]cc(-c4ccccc4)c3n2)c1.
What is the InChIKey of 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline?
The InChIKey is GIDACDHXUSOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3/c20-14-8-13(9-15(21)10-14)17-6-7-18-19(23-17)16(11-22-18)12-4-2-1-3-5-12/h1-11,22H,21H2.
What are the key properties of 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline?
3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline has a molecular weight of 303.34 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(3-phenyl-1H-pyrrolo[3,2-b]pyridin-5-yl)aniline is sourced from PubChem (CID 156503179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).