3-[2-(4-fluorophenyl)-4-pyridinyl]aniline

C17H13FN2 — CID 175199731

IUPAC3-[2-(4-fluorophenyl)-4-pyridinyl]aniline
SMILESNc1cccc(-c2ccnc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C17H13FN2/c18-15-6-4-12(5-7-15)17-11-14(8-9-20-17)13-2-1-3-16(19)10-13/h1-11H,19H2
InChIKeyDZUIJTBFBDJXKA-UHFFFAOYSA-N
MW264.30 g/mol
LogP4.14
Rot. Bonds2

About 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline

3-[2-(4-fluorophenyl)-4-pyridinyl]aniline (PubChem CID 175199731) has the molecular formula C17H13FN2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-4-pyridinyl]aniline
PubChem CID175199731
Molecular FormulaC17H13FN2
Molecular Weight264.30 g/mol
Exact Mass264.11
IUPAC Name3-[2-(4-fluorophenyl)-4-pyridinyl]aniline
SMILESNc1cccc(-c2ccnc(-c3ccc(F)cc3)c2)c1
InChIInChI=1S/C17H13FN2/c18-15-6-4-12(5-7-15)17-11-14(8-9-20-17)13-2-1-3-16(19)10-13/h1-11H,19H2
InChIKeyDZUIJTBFBDJXKA-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
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-[2-(4-fluorophenyl)-4-pyridinyl]aniline?
The IUPAC name of 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline (CID 175199731) is 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline?
The canonical SMILES for 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline is Nc1cccc(-c2ccnc(-c3ccc(F)cc3)c2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline?
The InChIKey is DZUIJTBFBDJXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2/c18-15-6-4-12(5-7-15)17-11-14(8-9-20-17)13-2-1-3-16(19)10-13/h1-11H,19H2.
What are the key properties of 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline?
3-[2-(4-fluorophenyl)-4-pyridinyl]aniline has a molecular weight of 264.30 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-4-pyridinyl]aniline is sourced from PubChem (CID 175199731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).