2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol

C19H15FN2O — CID 155518169

IUPAC2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol
SMILESNc1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1
InChIInChI=1S/C19H15FN2O/c20-15-6-7-19(23)17(12-15)18-11-14(8-9-22-18)5-4-13-2-1-3-16(21)10-13/h1-12,23H,21H2/b5-4+
InChIKeyVJUKJXNVMPGCRR-SNAWJCMRSA-N
MW306.34 g/mol
LogP4.35
Rot. Bonds3

About 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol

2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol (PubChem CID 155518169) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol
PubChem CID155518169
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol
SMILESNc1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1
InChIInChI=1S/C19H15FN2O/c20-15-6-7-19(23)17(12-15)18-11-14(8-9-22-18)5-4-13-2-1-3-16(21)10-13/h1-12,23H,21H2/b5-4+
InChIKeyVJUKJXNVMPGCRR-SNAWJCMRSA-N
XLogP4.35
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?
The IUPAC name of 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol (CID 155518169) is 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol.
What is the SMILES notation for 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?
The canonical SMILES for 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol is Nc1cccc(/C=C/c2ccnc(-c3cc(F)ccc3O)c2)c1.
What is the InChIKey of 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?
The InChIKey is VJUKJXNVMPGCRR-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-15-6-7-19(23)17(12-15)18-11-14(8-9-22-18)5-4-13-2-1-3-16(21)10-13/h1-12,23H,21H2/b5-4+.
What are the key properties of 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol?
2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol has a molecular weight of 306.34 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(3-aminophenyl)ethenyl]-2-pyridinyl]-4-fluorophenol is sourced from PubChem (CID 155518169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).