2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol

C23H13F5N4O — CID 3092887

IUPAC2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C23H13F5N4O/c24-18-14(19(25)21(27)22(28)20(18)26)11-29-32-23-30-15(12-6-2-1-3-7-12)10-16(31-23)13-8-4-5-9-17(13)33/h1-11,33H,(H,30,31,32)
InChIKeyZEOUAURJEJLRIC-UHFFFAOYSA-N
MW456.37 g/mol
LogP5.66
Rot. Bonds5

About 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol

2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol (PubChem CID 3092887) has the molecular formula C23H13F5N4O and a molecular weight of 456.37 g/mol. Its IUPAC name is 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
PubChem CID3092887
Molecular FormulaC23H13F5N4O
Molecular Weight456.37 g/mol
Exact Mass456.10
IUPAC Name2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C23H13F5N4O/c24-18-14(19(25)21(27)22(28)20(18)26)11-29-32-23-30-15(12-6-2-1-3-7-12)10-16(31-23)13-8-4-5-9-17(13)33/h1-11,33H,(H,30,31,32)
InChIKeyZEOUAURJEJLRIC-UHFFFAOYSA-N
XLogP5.66
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-4,6-diphenylpyrimidin-2-amine
CID 5338887
2-[2-[2-[(4-fluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 2842336
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
2-[6-(4-bromophenyl)-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]pyrimidin-4-yl]phenol
CID 135421745
2-[[[4-(2-hydroxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 3092883
2-[(E)-[[4-(4-bromophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 135443156
2-[4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]quinazolin-2-yl]phenol
CID 135536519
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
N-[(4-fluorophenyl)methylideneamino]-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842311
N-(benzylideneamino)-4-(4-methylphenyl)-6-phenylpyrimidin-2-amine
CID 2842306
1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 3092892
2-[(E)-[(4,6-diphenylpyrimidin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135822458

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The IUPAC name of 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol (CID 3092887) is 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol.
What is the SMILES notation for 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The canonical SMILES for 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
The InChIKey is ZEOUAURJEJLRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N4O/c24-18-14(19(25)21(27)22(28)20(18)26)11-29-32-23-30-15(12-6-2-1-3-7-12)10-16(31-23)13-8-4-5-9-17(13)33/h1-11,33H,(H,30,31,32).
What are the key properties of 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol?
2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol has a molecular weight of 456.37 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol is sourced from PubChem (CID 3092887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).