5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol

C22H18F2N2O — CID 123824442

IUPAC5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol
SMILESC=C(C)c1cc(-c2cccc(F)c2F)cc(O)c1/N=C(\C)c1cccnc1
InChIInChI=1S/C22H18F2N2O/c1-13(2)18-10-16(17-7-4-8-19(23)21(17)24)11-20(27)22(18)26-14(3)15-6-5-9-25-12-15/h4-12,27H,1H2,2-3H3/b26-14+
InChIKeyMZCCGHAFXYHKPU-VULFUBBASA-N
MW364.40 g/mol
LogP5.91
Rot. Bonds4

About 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol

5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol (PubChem CID 123824442) has the molecular formula C22H18F2N2O and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol
PubChem CID123824442
Molecular FormulaC22H18F2N2O
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol
SMILESC=C(C)c1cc(-c2cccc(F)c2F)cc(O)c1/N=C(\C)c1cccnc1
InChIInChI=1S/C22H18F2N2O/c1-13(2)18-10-16(17-7-4-8-19(23)21(17)24)11-20(27)22(18)26-14(3)15-6-5-9-25-12-15/h4-12,27H,1H2,2-3H3/b26-14+
InChIKeyMZCCGHAFXYHKPU-VULFUBBASA-N
XLogP5.91
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-1-pyridin-3-ylethanimine
CID 20639667
N'-[4-(2-fluoro-3-methoxyphenyl)-2-methoxy-6-methylphenyl]-N-methylidenepyridine-3-carboximidamide
CID 144501519
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
N-(3,5-dimethylphenyl)-1-pyridin-3-ylethanimine
CID 90830310
N-(3,5-ditert-butylphenyl)-1-pyridin-3-ylethanimine
CID 87864246
(Z)-N-[(Z)-1-pyridin-3-ylethylideneamino]fluoren-9-imine
CID 8980425
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
3-(2-fluoro-3-pyridin-4-ylphenyl)pyridine
CID 46316510
(Z)-1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)ethanimine
CID 6081356
3,4,5-trihydroxy-N'-(1-pyridin-3-ylethenyl)benzohydrazide
CID 3490793
[4-(2,3-difluorophenyl)-2,6-difluorophenyl] 2-methylprop-2-enoate
CID 126551736
4-(2,5-difluorophenyl)-3-prop-1-en-2-ylpyridine
CID 151088258

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol?
The IUPAC name of 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol (CID 123824442) is 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol.
What is the SMILES notation for 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol?
The canonical SMILES for 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol is C=C(C)c1cc(-c2cccc(F)c2F)cc(O)c1/N=C(\C)c1cccnc1.
What is the InChIKey of 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol?
The InChIKey is MZCCGHAFXYHKPU-VULFUBBASA-N. The full InChI is InChI=1S/C22H18F2N2O/c1-13(2)18-10-16(17-7-4-8-19(23)21(17)24)11-20(27)22(18)26-14(3)15-6-5-9-25-12-15/h4-12,27H,1H2,2-3H3/b26-14+.
What are the key properties of 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol?
5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol has a molecular weight of 364.40 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-3-prop-1-en-2-yl-2-(1-pyridin-3-ylethylideneamino)phenol is sourced from PubChem (CID 123824442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).