6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol

C21H19FN2O — CID 129080804

IUPAC6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol
SMILESC=CCC(c1cccc(-c2cc(F)ccc2N)c1)c1ccc(O)cn1
InChIInChI=1S/C21H19FN2O/c1-2-4-18(21-10-8-17(25)13-24-21)14-5-3-6-15(11-14)19-12-16(22)7-9-20(19)23/h2-3,5-13,18,25H,1,4,23H2
InChIKeyRAZCZHMSNADNPO-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.88
Rot. Bonds5

About 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol

6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol (PubChem CID 129080804) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol
PubChem CID129080804
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol
SMILESC=CCC(c1cccc(-c2cc(F)ccc2N)c1)c1ccc(O)cn1
InChIInChI=1S/C21H19FN2O/c1-2-4-18(21-10-8-17(25)13-24-21)14-5-3-6-15(11-14)19-12-16(22)7-9-20(19)23/h2-3,5-13,18,25H,1,4,23H2
InChIKeyRAZCZHMSNADNPO-UHFFFAOYSA-N
XLogP4.88
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol?
The IUPAC name of 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol (CID 129080804) is 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol.
What is the SMILES notation for 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol?
The canonical SMILES for 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol is C=CCC(c1cccc(-c2cc(F)ccc2N)c1)c1ccc(O)cn1.
What is the InChIKey of 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol?
The InChIKey is RAZCZHMSNADNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-2-4-18(21-10-8-17(25)13-24-21)14-5-3-6-15(11-14)19-12-16(22)7-9-20(19)23/h2-3,5-13,18,25H,1,4,23H2.
What are the key properties of 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol?
6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol has a molecular weight of 334.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(2-amino-5-fluorophenyl)phenyl]but-3-enyl]pyridin-3-ol is sourced from PubChem (CID 129080804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).